2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

C16H22N4O — CID 11960533

IUPAC2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C16H22N4O/c1-10(2)20-9-5-8-16(20,3)15-18-12-7-4-6-11(14(17)21)13(12)19-15/h4,6-7,10H,5,8-9H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyRJELEZQKILTGCW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.38
Rot. Bonds3

About 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide

2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960533) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960533
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C16H22N4O/c1-10(2)20-9-5-8-16(20,3)15-18-12-7-4-6-11(14(17)21)13(12)19-15/h4,6-7,10H,5,8-9H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyRJELEZQKILTGCW-UHFFFAOYSA-N
XLogP2.38
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2099
CID 2099
CID 11960529
CID 11960529
CID 60758
CID 60758
CID 11961293
CID 11961293
CID 9925908
CID 9925908
CID 9840076
CID 9840076
CID 25190738
CID 25190738
CID 25190749
CID 25190749
CID 73056835
CID 73056835
CID 135566422
CID 135566422
CID 45480520
CID 45480520
CID 719776
CID 719776

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide (CID 11960533) is 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCCC1(C)c1nc2c(C(N)=O)cccc2[nH]1.
What is the InChIKey of 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is RJELEZQKILTGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)20-9-5-8-16(20,3)15-18-12-7-4-6-11(14(17)21)13(12)19-15/h4,6-7,10H,5,8-9H2,1-3H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide?
2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).