2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide

C16H22N4O — CID 11960635

IUPAC2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-10(2)20-8-7-16(3,9-20)15-18-12-6-4-5-11(14(17)21)13(12)19-15/h4-6,10H,7-9H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyMXVHYHSXVGUFLG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds3

About 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide

2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960635) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960635
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C16H22N4O/c1-10(2)20-8-7-16(3,9-20)15-18-12-6-4-5-11(14(17)21)13(12)19-15/h4-6,10H,7-9H2,1-3H3,(H2,17,21)(H,18,19)
InChIKeyMXVHYHSXVGUFLG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 11960635) is 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCC(C)(c2nc3c(C(N)=O)cccc3[nH]2)C1.
What is the InChIKey of 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is MXVHYHSXVGUFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)20-8-7-16(3,9-20)15-18-12-6-4-5-11(14(17)21)13(12)19-15/h4-6,10H,7-9H2,1-3H3,(H2,17,21)(H,18,19).
What are the key properties of 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).