2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C15H20N4O — CID 25190729

IUPAC2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC[C@@H]1c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C15H20N4O/c1-9(2)19-8-4-7-12(19)15-17-11-6-3-5-10(14(16)20)13(11)18-15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H2,16,20)(H,17,18)/t12-/m1/s1
InChIKeyAACMGYWBWGBZPF-GFCCVEGCSA-N
MW272.35 g/mol
LogP2.21
Rot. Bonds3

About 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190729) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190729
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESCC(C)N1CCC[C@@H]1c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C15H20N4O/c1-9(2)19-8-4-7-12(19)15-17-11-6-3-5-10(14(16)20)13(11)18-15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H2,16,20)(H,17,18)/t12-/m1/s1
InChIKeyAACMGYWBWGBZPF-GFCCVEGCSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 25190729) is 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is CC(C)N1CCC[C@@H]1c1nc2c(C(N)=O)cccc2[nH]1.
What is the InChIKey of 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is AACMGYWBWGBZPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9(2)19-8-4-7-12(19)15-17-11-6-3-5-10(14(16)20)13(11)18-15/h3,5-6,9,12H,4,7-8H2,1-2H3,(H2,16,20)(H,17,18)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).