7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide

C27H29N5O3 — CID 42482087

IUPAC7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCCCc2cccnc2)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C27H29N5O3/c1-35-18-25(33)31-24-16-22(27(34)29-13-6-10-21-9-5-12-28-17-21)15-23-26(24)32(19-30-23)14-11-20-7-3-2-4-8-20/h2-5,7-9,12,15-17,19H,6,10-11,13-14,18H2,1H3,(H,29,34)(H,31,33)
InChIKeyMDWLOQYXANHEGN-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.62
Rot. Bonds11

About 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide

7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 42482087) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
PubChem CID42482087
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCCCc2cccnc2)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C27H29N5O3/c1-35-18-25(33)31-24-16-22(27(34)29-13-6-10-21-9-5-12-28-17-21)15-23-26(24)32(19-30-23)14-11-20-7-3-2-4-8-20/h2-5,7-9,12,15-17,19H,6,10-11,13-14,18H2,1H3,(H,29,34)(H,31,33)
InChIKeyMDWLOQYXANHEGN-UHFFFAOYSA-N
XLogP3.62
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
CID 42431979
6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)-N-(2-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 45183711
1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
CID 45243699
7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
CID 45175032
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
CID 26276093
3-bromo-4-methoxy-N-(3-pyridin-3-ylpropyl)benzamide
CID 110607078
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide
CID 90609146
N-[3-(furan-2-yl)propyl]-3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504746

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide (CID 42482087) is 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide is COCC(=O)Nc1cc(C(=O)NCCCc2cccnc2)cc2ncn(CCc3ccccc3)c12.
What is the InChIKey of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is MDWLOQYXANHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-35-18-25(33)31-24-16-22(27(34)29-13-6-10-21-9-5-12-28-17-21)15-23-26(24)32(19-30-23)14-11-20-7-3-2-4-8-20/h2-5,7-9,12,15-17,19H,6,10-11,13-14,18H2,1H3,(H,29,34)(H,31,33).
What are the key properties of 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide?
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 42482087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).