1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium

C81H101N17O11S+2 — CID 158661341

IUPAC1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium
SMILESCCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](C)=O)cc1)n2CCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](C)=O)cc1)n2CCCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCC(N)=O)C1CCCCC1
InChIInChI=1S/C28H34N6O4.C27H32N6O4.C26H33N5O3S/c1-32(21-8-4-3-5-9-21)27(37)20-13-16-24-23(18-20)30-28(34(24)17-7-6-10-25(29)35)31-26(36)19-11-14-22(15-12-19)33(2)38;1-3-32(21-7-5-4-6-8-21)26(36)19-11-14-23-22(17-19)29-27(33(23)16-15-24(28)34)30-25(35)18-9-12-20(13-10-18)31(2)37;1-30(19-9-4-2-5-10-19)25(34)18-13-14-21-20(17-18)28-26(29-24(33)22-11-8-16-35-22)31(21)15-7-3-6-12-23(27)32/h11-16,18,21H,3-10,17H2,1-2H3,(H2-,29,30,31,35,36);9-14,17,21H,3-8,15-16H2,1-2H3,(H2-,28,29,30,34,35);8,11,13-14,16-17,19H,2-7,9-10,12,15H2,1H3,(H2,27,32)(H,28,29,33)/p+2
InChIKeyICUJQFPKFQGOPB-UHFFFAOYSA-P
MW1520.87 g/mol
LogP13.19
Rot. Bonds29

About 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium

1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium (PubChem CID 158661341) has the molecular formula C81H101N17O11S+2 and a molecular weight of 1520.87 g/mol. Its IUPAC name is 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium.

Molecular Properties

Compound Name1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium
PubChem CID158661341
Molecular FormulaC81H101N17O11S+2
Molecular Weight1520.87 g/mol
Exact Mass1519.76
IUPAC Name1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium
SMILESCCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](C)=O)cc1)n2CCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](C)=O)cc1)n2CCCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCC(N)=O)C1CCCCC1
InChIInChI=1S/C28H34N6O4.C27H32N6O4.C26H33N5O3S/c1-32(21-8-4-3-5-9-21)27(37)20-13-16-24-23(18-20)30-28(34(24)17-7-6-10-25(29)35)31-26(36)19-11-14-22(15-12-19)33(2)38;1-3-32(21-7-5-4-6-8-21)26(36)19-11-14-23-22(17-19)29-27(33(23)16-15-24(28)34)30-25(35)18-9-12-20(13-10-18)31(2)37;1-30(19-9-4-2-5-10-19)25(34)18-13-14-21-20(17-18)28-26(29-24(33)22-11-8-16-35-22)31(21)15-7-3-6-12-23(27)32/h11-16,18,21H,3-10,17H2,1-2H3,(H2-,29,30,31,35,36);9-14,17,21H,3-8,15-16H2,1-2H3,(H2-,28,29,30,34,35);8,11,13-14,16-17,19H,2-7,9-10,12,15H2,1H3,(H2,27,32)(H,28,29,33)/p+2
InChIKeyICUJQFPKFQGOPB-UHFFFAOYSA-P
XLogP13.19
TPSA371.12 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001520.87
LogP ≤ 513.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium with MolForge

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Related Compounds

2-Aminobenzimidazole with trans-stilbene, 8r
CID 25190561
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
N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10160476
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
N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10224336
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium?
The IUPAC name of 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium (CID 158661341) is 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium.
What is the SMILES notation for 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium?
The canonical SMILES for 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium is CCN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](C)=O)cc1)n2CCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccc([N+](C)=O)cc1)n2CCCCC(N)=O)C1CCCCC1.CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCCCC(N)=O)C1CCCCC1.
What is the InChIKey of 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium?
The InChIKey is ICUJQFPKFQGOPB-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H34N6O4.C27H32N6O4.C26H33N5O3S/c1-32(21-8-4-3-5-9-21)27(37)20-13-16-24-23(18-20)30-28(34(24)17-7-6-10-25(29)35)31-26(36)19-11-14-22(15-12-19)33(2)38;1-3-32(21-7-5-4-6-8-21)26(36)19-11-14-23-22(17-19)29-27(33(23)16-15-24(28)34)30-25(35)18-9-12-20(13-10-18)31(2)37;1-30(19-9-4-2-5-10-19)25(34)18-13-14-21-20(17-18)28-26(29-24(33)22-11-8-16-35-22)31(21)15-7-3-6-12-23(27)32/h11-16,18,21H,3-10,17H2,1-2H3,(H2-,29,30,31,35,36);9-14,17,21H,3-8,15-16H2,1-2H3,(H2-,28,29,30,34,35);8,11,13-14,16-17,19H,2-7,9-10,12,15H2,1H3,(H2,27,32)(H,28,29,33)/p+2.
What are the key properties of 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium?
1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium has a molecular weight of 1520.87 g/mol, XLogP of 13.19, 29 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-6-oxohexyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carbonylamino)benzimidazole-5-carboxamide;[4-[[1-(5-amino-5-oxopentyl)-5-[cyclohexyl(methyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium;[4-[[1-(3-amino-3-oxopropyl)-5-[cyclohexyl(ethyl)carbamoyl]benzimidazol-2-yl]carbamoyl]phenyl]-methyl-oxoazanium is sourced from PubChem (CID 158661341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).