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

C15H20N4O — CID 18428130

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-9(2)19-7-6-10(8-19)15-17-12-5-3-4-11(14(16)20)13(12)18-15/h3-5,9-10H,6-8H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyVTUQOMWGZRVNBM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.86
Rot. Bonds3

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

2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 18428130) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID18428130
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-9(2)19-7-6-10(8-19)15-17-12-5-3-4-11(14(16)20)13(12)18-15/h3-5,9-10H,6-8H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyVTUQOMWGZRVNBM-UHFFFAOYSA-N
XLogP1.86
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 18428130) is 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is CC(C)N1CCC(c2nc3c(C(N)=O)cccc3[nH]2)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is VTUQOMWGZRVNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)19-7-6-10(8-19)15-17-12-5-3-4-11(14(16)20)13(12)18-15/h3-5,9-10H,6-8H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18428130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).