[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

C17H16N4O — CID 51137015

IUPAC[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H16N4O/c22-17(12-5-8-18-9-6-12)21-10-7-13(11-21)16-19-14-3-1-2-4-15(14)20-16/h1-6,8-9,13H,7,10-11H2,(H,19,20)/t13-/m0/s1
InChIKeyUTGNLJJQSYCIFO-ZDUSSCGKSA-N
MW292.34 g/mol
LogP2.59
Rot. Bonds2

About [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 51137015) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID51137015
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H16N4O/c22-17(12-5-8-18-9-6-12)21-10-7-13(11-21)16-19-14-3-1-2-4-15(14)20-16/h1-6,8-9,13H,7,10-11H2,(H,19,20)/t13-/m0/s1
InChIKeyUTGNLJJQSYCIFO-ZDUSSCGKSA-N
XLogP2.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 47993008
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone
CID 46851512
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55498022
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 51137015) is [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is UTGNLJJQSYCIFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(12-5-8-18-9-6-12)21-10-7-13(11-21)16-19-14-3-1-2-4-15(14)20-16/h1-6,8-9,13H,7,10-11H2,(H,19,20)/t13-/m0/s1.
What are the key properties of [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 292.34 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 51137015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).