5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide

C24H31N5O3 — CID 45490733

IUPAC5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C
InChIInChI=1S/C24H31N5O3/c1-14(2)25-24(31)17-13-28(3)20(21(17)32-5)22-27-18-12-16(10-11-19(18)29(22)4)26-23(30)15-8-6-7-9-15/h10-15H,6-9H2,1-5H3,(H,25,31)(H,26,30)
InChIKeyTVBIWDKAXXGXMI-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.85
Rot. Bonds6

About 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide

5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide (PubChem CID 45490733) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
PubChem CID45490733
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C
InChIInChI=1S/C24H31N5O3/c1-14(2)25-24(31)17-13-28(3)20(21(17)32-5)22-27-18-12-16(10-11-19(18)29(22)4)26-23(30)15-8-6-7-9-15/h10-15H,6-9H2,1-5H3,(H,25,31)(H,26,30)
InChIKeyTVBIWDKAXXGXMI-UHFFFAOYSA-N
XLogP3.85
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490466
4-methoxy-N,1-dimethyl-5-[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]pyrrole-3-carboxamide
CID 45490504
5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490682
5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
CID 45490627
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 135638530
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490630
4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490653
4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490510
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 135638545
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
CID 45490474
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide (CID 45490733) is 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide is COc1c(C(=O)NC(C)C)cn(C)c1-c1nc2cc(NC(=O)C3CCCC3)ccc2n1C.
What is the InChIKey of 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is TVBIWDKAXXGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-14(2)25-24(31)17-13-28(3)20(21(17)32-5)22-27-18-12-16(10-11-19(18)29(22)4)26-23(30)15-8-6-7-9-15/h10-15H,6-9H2,1-5H3,(H,25,31)(H,26,30).
What are the key properties of 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide?
5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 45490733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).