1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide

C14H14N4O — CID 110469019

IUPAC1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc[nH]2)nc2ccccc21
InChIInChI=1S/C14H14N4O/c1-18-12-7-3-2-6-11(12)17-13(18)14(19)16-9-10-5-4-8-15-10/h2-8,15H,9H2,1H3,(H,16,19)
InChIKeyCWBYIOPIRGWVGN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.83
Rot. Bonds3

About 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide

1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide (PubChem CID 110469019) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
PubChem CID110469019
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccc[nH]2)nc2ccccc21
InChIInChI=1S/C14H14N4O/c1-18-12-7-3-2-6-11(12)17-13(18)14(19)16-9-10-5-4-8-15-10/h2-8,15H,9H2,1H3,(H,16,19)
InChIKeyCWBYIOPIRGWVGN-UHFFFAOYSA-N
XLogP1.83
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
2-methyl-N-(1H-pyrrol-2-ylmethyl)quinoline-3-carboxamide
CID 110489587
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
N-(1H-pyrrol-2-ylmethyl)thiophene-2-carboxamide
CID 71684218
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 134012176
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
5-bromo-N-[(1-methylbenzimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47161314
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide (CID 110469019) is 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide is Cn1c(C(=O)NCc2ccc[nH]2)nc2ccccc21.
What is the InChIKey of 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide?
The InChIKey is CWBYIOPIRGWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-12-7-3-2-6-11(12)17-13(18)14(19)16-9-10-5-4-8-15-10/h2-8,15H,9H2,1H3,(H,16,19).
What are the key properties of 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide?
1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1H-pyrrol-2-ylmethyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 110469019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).