5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide

C19H23N5O3 — CID 45490630

IUPAC5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
SMILESCOc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C
InChIInChI=1S/C19H23N5O3/c1-11(25)20-12-7-8-15-14(9-12)21-18(24(15)5)16-17(27-6)13(10-23(16)4)19(26)22(2)3/h7-10H,1-6H3,(H,20,25)
InChIKeyLYOCQLNECRGARQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.25
Rot. Bonds4

About 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide

5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide (PubChem CID 45490630) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
PubChem CID45490630
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide
SMILESCOc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C
InChIInChI=1S/C19H23N5O3/c1-11(25)20-12-7-8-15-14(9-12)21-18(24(15)5)16-17(27-6)13(10-23(16)4)19(26)22(2)3/h7-10H,1-6H3,(H,20,25)
InChIKeyLYOCQLNECRGARQ-UHFFFAOYSA-N
XLogP2.25
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
CID 45490466
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
CID 45490474
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
5-[5-(cyclopropanecarbonylamino)-1-methylbenzimidazol-2-yl]-1-methyl-4-propoxypyrrole-3-carboxamide
CID 45490627
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 135638530
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 135638545
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide?
The IUPAC name of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide (CID 45490630) is 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide is COc1c(C(=O)N(C)C)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C.
What is the InChIKey of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide?
The InChIKey is LYOCQLNECRGARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(25)20-12-7-8-15-14(9-12)21-18(24(15)5)16-17(27-6)13(10-23(16)4)19(26)22(2)3/h7-10H,1-6H3,(H,20,25).
What are the key properties of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide?
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,N,1-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 45490630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).