2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

C14H18N4O — CID 11960530

IUPAC2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C14H18N4O/c1-14(7-4-8-18(14)2)13-16-10-6-3-5-9(12(15)19)11(10)17-13/h3,5-6H,4,7-8H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyXMDBCOUWMGTQRZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.60
Rot. Bonds2

About 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960530) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960530
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C14H18N4O/c1-14(7-4-8-18(14)2)13-16-10-6-3-5-9(12(15)19)11(10)17-13/h3,5-6H,4,7-8H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyXMDBCOUWMGTQRZ-UHFFFAOYSA-N
XLogP1.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (CID 11960530) is 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is CN1CCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1.
What is the InChIKey of 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is XMDBCOUWMGTQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(7-4-8-18(14)2)13-16-10-6-3-5-9(12(15)19)11(10)17-13/h3,5-6H,4,7-8H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).