(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride

C12H15ClN4O — CID 119261485

IUPAC(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C12H14N4O.ClH/c17-11(10-6-3-7-13-10)16-12-14-8-4-1-2-5-9(8)15-12;/h1-2,4-5,10,13H,3,6-7H2,(H2,14,15,16,17);1H/t10-;/m0./s1
InChIKeyUNLABWGLGVQEHP-PPHPATTJSA-N
MW266.73 g/mol
LogP1.68
Rot. Bonds2

About (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119261485) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119261485
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C12H14N4O.ClH/c17-11(10-6-3-7-13-10)16-12-14-8-4-1-2-5-9(8)15-12;/h1-2,4-5,10,13H,3,6-7H2,(H2,14,15,16,17);1H/t10-;/m0./s1
InChIKeyUNLABWGLGVQEHP-PPHPATTJSA-N
XLogP1.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79140104
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CID 76999436
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809
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CID 18089285
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
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(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
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CID 45116189

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119261485) is (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1nc2ccccc2[nH]1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is UNLABWGLGVQEHP-PPHPATTJSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c17-11(10-6-3-7-13-10)16-12-14-8-4-1-2-5-9(8)15-12;/h1-2,4-5,10,13H,3,6-7H2,(H2,14,15,16,17);1H/t10-;/m0./s1.
What are the key properties of (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119261485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).