4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide

C25H27N5O4 — CID 45490653

IUPAC4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(-c2c(OC)c(C(=O)N(C)C)cn2C)n3C)cc1
InChIInChI=1S/C25H27N5O4/c1-28(2)25(32)18-14-29(3)21(22(18)34-6)23-27-19-13-16(9-12-20(19)30(23)4)26-24(31)15-7-10-17(33-5)11-8-15/h7-14H,1-6H3,(H,26,31)
InChIKeyMVJWLQXNDYWLDA-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.55
Rot. Bonds6

About 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide

4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide (PubChem CID 45490653) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
PubChem CID45490653
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(-c2c(OC)c(C(=O)N(C)C)cn2C)n3C)cc1
InChIInChI=1S/C25H27N5O4/c1-28(2)25(32)18-14-29(3)21(22(18)34-6)23-27-19-13-16(9-12-20(19)30(23)4)26-24(31)15-7-10-17(33-5)11-8-15/h7-14H,1-6H3,(H,26,31)
InChIKeyMVJWLQXNDYWLDA-UHFFFAOYSA-N
XLogP3.55
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490630
4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490510
5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490682
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-(cyclopentanecarbonylamino)-1-methylbenzimidazol-2-yl]-4-methoxy-1-methyl-N-propan-2-ylpyrrole-3-carboxamide
CID 45490733
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
CID 45490474
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
CID 45490627
4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 46263404

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
The IUPAC name of 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide (CID 45490653) is 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide is COc1ccc(C(=O)Nc2ccc3c(c2)nc(-c2c(OC)c(C(=O)N(C)C)cn2C)n3C)cc1.
What is the InChIKey of 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
The InChIKey is MVJWLQXNDYWLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-28(2)25(32)18-14-29(3)21(22(18)34-6)23-27-19-13-16(9-12-20(19)30(23)4)26-24(31)15-7-10-17(33-5)11-8-15/h7-14H,1-6H3,(H,26,31).
What are the key properties of 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[5-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 45490653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).