1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

C123H153N25O14S5 — CID 159342887

IUPAC1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCN)C1CCCCC1.CN(C)C(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.CNC(=O)CCCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C26H33N5O3S.2C25H31N5O3S.C24H29N5O3S.C23H29N5O2S/c1-27-23(32)12-6-7-15-31-21-14-13-18(25(34)30(2)19-9-4-3-5-10-19)17-20(21)28-26(31)29-24(33)22-11-8-16-35-22;1-28(2)22(31)13-14-30-20-12-11-17(24(33)29(3)18-8-5-4-6-9-18)16-19(20)26-25(30)27-23(32)21-10-7-15-34-21;1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31;1-28(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)26-24(29(19)13-5-10-21(25)30)27-22(31)20-9-6-14-33-20;1-27(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h8,11,13-14,16-17,19H,3-7,9-10,12,15H2,1-2H3,(H,27,32)(H,28,29,33);7,10-12,15-16,18H,4-6,8-9,13-14H2,1-3H3,(H,26,27,32);7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32);6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H2,25,30)(H,26,27,31);5,9-11,14-15,17H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29)
InChIKeyLGIUVLJZDUYVKG-UHFFFAOYSA-N
MW2366.07 g/mol
LogP21.44
Rot. Bonds40

About 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide

1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (PubChem CID 159342887) has the molecular formula C123H153N25O14S5 and a molecular weight of 2366.07 g/mol. Its IUPAC name is 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
PubChem CID159342887
Molecular FormulaC123H153N25O14S5
Molecular Weight2366.07 g/mol
Exact Mass2364.06
IUPAC Name1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCN)C1CCCCC1.CN(C)C(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.CNC(=O)CCCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21
InChIInChI=1S/C26H33N5O3S.2C25H31N5O3S.C24H29N5O3S.C23H29N5O2S/c1-27-23(32)12-6-7-15-31-21-14-13-18(25(34)30(2)19-9-4-3-5-10-19)17-20(21)28-26(31)29-24(33)22-11-8-16-35-22;1-28(2)22(31)13-14-30-20-12-11-17(24(33)29(3)18-8-5-4-6-9-18)16-19(20)26-25(30)27-23(32)21-10-7-15-34-21;1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31;1-28(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)26-24(29(19)13-5-10-21(25)30)27-22(31)20-9-6-14-33-20;1-27(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h8,11,13-14,16-17,19H,3-7,9-10,12,15H2,1-2H3,(H,27,32)(H,28,29,33);7,10-12,15-16,18H,4-6,8-9,13-14H2,1-3H3,(H,26,27,32);7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32);6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H2,25,30)(H,26,27,31);5,9-11,14-15,17H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29)
InChIKeyLGIUVLJZDUYVKG-UHFFFAOYSA-N
XLogP21.44
TPSA497.76 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002366.07
LogP ≤ 521.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide with MolForge

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Related Compounds

1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10114123
N-cyclohexyl-N-methyl-1-(3-(methylamino)-3-oxopropyl)-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10151831
ethyl 3-(5-(cyclohexyl(methyl)carbamoyl)-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazol-1-yl)propanoate
CID 10162990
N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10194689
1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10195646
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10288395
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10310783
N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-2-(thiophen-3-ylamino)-3H-benzo[d]imidazole-5-carboxamide
CID 44432954
3-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-3H-benzo[d]imidazole-5-carboxamide
CID 44432432
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-thiophen-2-ylbenzimidazole-5-carboxamide
CID 127043981
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-methyl-2-thiophen-3-ylbenzimidazole-5-carboxamide
CID 127044125
N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10110453

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide (CID 159342887) is 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCN)C1CCCCC1.CN(C)C(=O)CCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.CNC(=O)CCCCn1c(NC(=O)c2cccs2)nc2cc(C(=O)N(C)C3CCCCC3)ccc21.
What is the InChIKey of 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
The InChIKey is LGIUVLJZDUYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S.2C25H31N5O3S.C24H29N5O3S.C23H29N5O2S/c1-27-23(32)12-6-7-15-31-21-14-13-18(25(34)30(2)19-9-4-3-5-10-19)17-20(21)28-26(31)29-24(33)22-11-8-16-35-22;1-28(2)22(31)13-14-30-20-12-11-17(24(33)29(3)18-8-5-4-6-9-18)16-19(20)26-25(30)27-23(32)21-10-7-15-34-21;1-29(18-8-3-2-4-9-18)24(33)17-12-13-20-19(16-17)27-25(28-23(32)21-10-7-15-34-21)30(20)14-6-5-11-22(26)31;1-28(17-7-3-2-4-8-17)23(32)16-11-12-19-18(15-16)26-24(29(19)13-5-10-21(25)30)27-22(31)20-9-6-14-33-20;1-27(17-7-3-2-4-8-17)22(30)16-10-11-19-18(15-16)25-23(28(19)13-6-12-24)26-21(29)20-9-5-14-31-20/h8,11,13-14,16-17,19H,3-7,9-10,12,15H2,1-2H3,(H,27,32)(H,28,29,33);7,10-12,15-16,18H,4-6,8-9,13-14H2,1-3H3,(H,26,27,32);7,10,12-13,15-16,18H,2-6,8-9,11,14H2,1H3,(H2,26,31)(H,27,28,32);6,9,11-12,14-15,17H,2-5,7-8,10,13H2,1H3,(H2,25,30)(H,26,27,31);5,9-11,14-15,17H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29).
What are the key properties of 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide?
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide has a molecular weight of 2366.07 g/mol, XLogP of 21.44, 40 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-1-[3-(dimethylamino)-3-oxopropyl]-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;N-cyclohexyl-N-methyl-1-[5-(methylamino)-5-oxopentyl]-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 159342887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).