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

C25H27N5O4 — CID 45490510

IUPAC4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(=O)N(C)C)cn1C)n2C
InChIInChI=1S/C25H27N5O4/c1-28(2)25(32)17-14-29(3)21(22(17)34-6)23-27-18-13-15(11-12-19(18)30(23)4)26-24(31)16-9-7-8-10-20(16)33-5/h7-14H,1-6H3,(H,26,31)
InChIKeyIGUFVVGXJBDKQE-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.55
Rot. Bonds6

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

4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide (PubChem CID 45490510) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
PubChem CID45490510
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(=O)N(C)C)cn1C)n2C
InChIInChI=1S/C25H27N5O4/c1-28(2)25(32)17-14-29(3)21(22(17)34-6)23-27-18-13-15(11-12-19(18)30(23)4)26-24(31)16-9-7-8-10-20(16)33-5/h7-14H,1-6H3,(H,26,31)
InChIKeyIGUFVVGXJBDKQE-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-[(4-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490653
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490466
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109
5-[5-[(4-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490682
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
2-methoxy-N-(3-methyl-2-pyridin-4-ylbenzimidazol-5-yl)benzamide
CID 169323335
2-methoxy-N-(5-methylbenzimidazolo[2,1-a]phthalazin-10-yl)benzamide
CID 5155441
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
CID 4895369
N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 46270417

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
The IUPAC name of 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide (CID 45490510) is 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide is COc1ccccc1C(=O)Nc1ccc2c(c1)nc(-c1c(OC)c(C(=O)N(C)C)cn1C)n2C.
What is the InChIKey of 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
The InChIKey is IGUFVVGXJBDKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-28(2)25(32)17-14-29(3)21(22(17)34-6)23-27-18-13-15(11-12-19(18)30(23)4)26-24(31)16-9-7-8-10-20(16)33-5/h7-14H,1-6H3,(H,26,31).
What are the key properties of 4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide?
4-methoxy-5-[5-[(2-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-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 45490510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).