2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

C12H14N4O — CID 25190719

IUPAC2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@H]3CCCN3)nc12
InChIInChI=1S/C12H14N4O/c13-11(17)7-3-1-4-8-10(7)16-12(15-8)9-5-2-6-14-9/h1,3-4,9,14H,2,5-6H2,(H2,13,17)(H,15,16)/t9-/m0/s1
InChIKeyHTZYXVMVVCKCTD-VIFPVBQESA-N
MW230.27 g/mol
LogP1.09
Rot. Bonds2

About 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190719) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190719
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c([C@@H]3CCCN3)nc12
InChIInChI=1S/C12H14N4O/c13-11(17)7-3-1-4-8-10(7)16-12(15-8)9-5-2-6-14-9/h1,3-4,9,14H,2,5-6H2,(H2,13,17)(H,15,16)/t9-/m0/s1
InChIKeyHTZYXVMVVCKCTD-VIFPVBQESA-N
XLogP1.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 25190738
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
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CID 73056835
2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide (CID 25190719) is 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c([C@@H]3CCCN3)nc12.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is HTZYXVMVVCKCTD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O/c13-11(17)7-3-1-4-8-10(7)16-12(15-8)9-5-2-6-14-9/h1,3-4,9,14H,2,5-6H2,(H2,13,17)(H,15,16)/t9-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide?
2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).