(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

C13H16ClFN4O — CID 122081687

IUPAC(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C13H15FN4O.ClH/c14-8-3-4-9-11(6-8)18-12(17-9)7-16-13(19)10-2-1-5-15-10;/h3-4,6,10,15H,1-2,5,7H2,(H,16,19)(H,17,18);1H/t10-;/m0./s1
InChIKeyHQWMLRGAUAGYGT-PPHPATTJSA-N
MW298.75 g/mol
LogP1.49
Rot. Bonds3

About (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 122081687) has the molecular formula C13H16ClFN4O and a molecular weight of 298.75 g/mol. Its IUPAC name is (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID122081687
Molecular FormulaC13H16ClFN4O
Molecular Weight298.75 g/mol
Exact Mass298.10
IUPAC Name(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN1
InChIInChI=1S/C13H15FN4O.ClH/c14-8-3-4-9-11(6-8)18-12(17-9)7-16-13(19)10-2-1-5-15-10;/h3-4,6,10,15H,1-2,5,7H2,(H,16,19)(H,17,18);1H/t10-;/m0./s1
InChIKeyHQWMLRGAUAGYGT-PPHPATTJSA-N
XLogP1.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119885398
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
cis-(1S,3R)-3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 122564449
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119885363
2-(cyclopropylmethylamino)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 119885380
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
N-[(2,5-difluorophenyl)methyl]piperidine-2-carboxamide
CID 63795889
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide;dihydrochloride
CID 119885402
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 119885393
(9S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125165083
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 122081687) is (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HQWMLRGAUAGYGT-PPHPATTJSA-N. The full InChI is InChI=1S/C13H15FN4O.ClH/c14-8-3-4-9-11(6-8)18-12(17-9)7-16-13(19)10-2-1-5-15-10;/h3-4,6,10,15H,1-2,5,7H2,(H,16,19)(H,17,18);1H/t10-;/m0./s1.
What are the key properties of (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 298.75 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122081687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).