2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide

C14H18N4O — CID 25190749

IUPAC2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C14H18N4O/c1-14(6-7-18(2)8-14)13-16-10-5-3-4-9(12(15)19)11(10)17-13/h3-5H,6-8H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyQGTORHVYPPNMGU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.25
Rot. Bonds2

About 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide

2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25190749) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25190749
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCN1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C14H18N4O/c1-14(6-7-18(2)8-14)13-16-10-5-3-4-9(12(15)19)11(10)17-13/h3-5H,6-8H2,1-2H3,(H2,15,19)(H,16,17)
InChIKeyQGTORHVYPPNMGU-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 25190749) is 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is CN1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1.
What is the InChIKey of 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is QGTORHVYPPNMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(6-7-18(2)8-14)13-16-10-5-3-4-9(12(15)19)11(10)17-13/h3-5H,6-8H2,1-2H3,(H2,15,19)(H,16,17).
What are the key properties of 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).