N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide

C26H31N5O4 — CID 44588767

IUPACN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)c1
InChIInChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33)
InChIKeyNWKSLWHGCANTBP-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.72
Rot. Bonds8

About N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide

N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide (PubChem CID 44588767) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide
PubChem CID44588767
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)c1
InChIInChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33)
InChIKeyNWKSLWHGCANTBP-UHFFFAOYSA-N
XLogP3.72
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[2-(Dimethylamino)ethyl]amino}-8-Methoxy-6h-Imidazo[4,5,1-De]acridin-6-One
CID 11681568
10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 367850
WH2PZ15Ppn
CID 438550
3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide
CID 929513
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
CID 25190504
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenoxythiophene-2-carboxamide
CID 25190525
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(benzyloxy)thiophene-2-carboxamide
CID 25190526
2-Aminobenzimidazole with trans-stilbene, 8h
CID 25190552
2-Aminobenzimidazole with trans-stilbene, 8i
CID 25190553
2-Aminobenzimidazole with trans-stilbene, 8j
CID 25190554
10-[2-(Dimethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 15680107
4-methoxy-N-[2-(1-methyl-5-nitrobenzimidazol-2-yl)ethyl]benzamide
CID 4891629

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide (CID 44588767) is N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3cc(N(C)C(=O)C4CCCCC4)ccc3n2CCC(N)=O)c1.
What is the InChIKey of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide?
The InChIKey is NWKSLWHGCANTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-30(25(34)17-7-4-3-5-8-17)19-11-12-22-21(16-19)28-26(31(22)14-13-23(27)32)29-24(33)18-9-6-10-20(15-18)35-2/h6,9-12,15-17H,3-5,7-8,13-14H2,1-2H3,(H2,27,32)(H,28,29,33).
What are the key properties of N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide?
N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide has a molecular weight of 477.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-3-oxopropyl)-5-[cyclohexanecarbonyl(methyl)amino]benzimidazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 44588767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).