7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide

C27H33N5O4 — CID 45175032

IUPAC7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(CC2CCC(=O)N2)C(C)C)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C27H33N5O4/c1-18(2)32(15-21-9-10-24(33)29-21)27(35)20-13-22-26(23(14-20)30-25(34)16-36-3)31(17-28-22)12-11-19-7-5-4-6-8-19/h4-8,13-14,17-18,21H,9-12,15-16H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyCRUMAAGVFUSERV-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.99
Rot. Bonds10

About 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide

7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 45175032) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID45175032
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)N(CC2CCC(=O)N2)C(C)C)cc2ncn(CCc3ccccc3)c12
InChIInChI=1S/C27H33N5O4/c1-18(2)32(15-21-9-10-24(33)29-21)27(35)20-13-22-26(23(14-20)30-25(34)16-36-3)31(17-28-22)12-11-19-7-5-4-6-8-19/h4-8,13-14,17-18,21H,9-12,15-16H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyCRUMAAGVFUSERV-UHFFFAOYSA-N
XLogP2.99
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
CID 25291269
3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzimidazole-4-carboxamide
CID 45186224
1-[7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)benzimidazole-5-carbonyl]piperidine-3-carboxamide
CID 45243699
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
CID 42431979
7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(3-pyridin-3-ylpropyl)benzimidazole-5-carboxamide
CID 42482087
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(3-phenylpropyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 42515593
N-[(5-oxopyrrolidin-2-yl)methyl]-1-(3-phenylpropyl)-N-propan-2-yltriazole-4-carboxamide
CID 45183420
1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea
CID 138045164
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide
CID 95226268
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
CID 26276093
6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)-N-(2-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 45183711
4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 122572625

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide (CID 45175032) is 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide is COCC(=O)Nc1cc(C(=O)N(CC2CCC(=O)N2)C(C)C)cc2ncn(CCc3ccccc3)c12.
What is the InChIKey of 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is CRUMAAGVFUSERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-18(2)32(15-21-9-10-24(33)29-21)27(35)20-13-22-26(23(14-20)30-25(34)16-36-3)31(17-28-22)12-11-19-7-5-4-6-8-19/h4-8,13-14,17-18,21H,9-12,15-16H2,1-3H3,(H,29,33)(H,30,34).
What are the key properties of 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide?
7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyacetyl)amino]-N-[(5-oxopyrrolidin-2-yl)methyl]-1-(2-phenylethyl)-N-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 45175032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).