N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide

C20H20N6O2 — CID 167130276

IUPACN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccncn4)c3C)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-12-8-16(13(2)26(12)10-14-6-7-21-11-22-14)19(27)25-20-23-17-5-4-15(28-3)9-18(17)24-20/h4-9,11H,10H2,1-3H3,(H2,23,24,25,27)
InChIKeyUWRSMOAYGSDXCI-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.08
Rot. Bonds5

About N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide

N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide (PubChem CID 167130276) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
PubChem CID167130276
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccncn4)c3C)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-12-8-16(13(2)26(12)10-14-6-7-21-11-22-14)19(27)25-20-23-17-5-4-15(28-3)9-18(17)24-20/h4-9,11H,10H2,1-3H3,(H2,23,24,25,27)
InChIKeyUWRSMOAYGSDXCI-UHFFFAOYSA-N
XLogP3.08
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-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

N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carboxamide
CID 167130281
1-(3-carbamoyl-5-methylthiophen-2-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 166058672
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone
CID 16504554
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
CID 82562607
2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
1-(4-cyano-2-methyl-1,3-thiazol-5-yl)-N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethylimidazole-4-carboxamide
CID 167130273
N-[6-(2,4-dimethoxyphenyl)-1H-benzimidazol-2-yl]-2-methoxyacetamide
CID 59771103
2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
CID 167780321
4-N-(2,4-dimethylphenyl)-5-N-(6-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984419

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide (CID 167130276) is N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide is COc1ccc2nc(NC(=O)c3cc(C)n(Cc4ccncn4)c3C)[nH]c2c1.
What is the InChIKey of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is UWRSMOAYGSDXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-8-16(13(2)26(12)10-14-6-7-21-11-22-14)19(27)25-20-23-17-5-4-15(28-3)9-18(17)24-20/h4-9,11H,10H2,1-3H3,(H2,23,24,25,27).
What are the key properties of N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide?
N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1H-benzimidazol-2-yl)-2,5-dimethyl-1-(pyrimidin-4-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 167130276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).