2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

C17H22N4O — CID 11960630

IUPAC2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C1CCC1
InChIInChI=1S/C17H22N4O/c1-17(9-4-10-21(17)11-5-2-6-11)16-19-13-8-3-7-12(15(18)22)14(13)20-16/h3,7-8,11H,2,4-6,9-10H2,1H3,(H2,18,22)(H,19,20)
InChIKeyIGZLGFQFXDRWON-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.53
Rot. Bonds3

About 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960630) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960630
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C1CCC1
InChIInChI=1S/C17H22N4O/c1-17(9-4-10-21(17)11-5-2-6-11)16-19-13-8-3-7-12(15(18)22)14(13)20-16/h3,7-8,11H,2,4-6,9-10H2,1H3,(H2,18,22)(H,19,20)
InChIKeyIGZLGFQFXDRWON-UHFFFAOYSA-N
XLogP2.53
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (CID 11960630) is 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C1CCC1.
What is the InChIKey of 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is IGZLGFQFXDRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(9-4-10-21(17)11-5-2-6-11)16-19-13-8-3-7-12(15(18)22)14(13)20-16/h3,7-8,11H,2,4-6,9-10H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutyl-2-methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).