[4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone

C24H22N4O2 — CID 71850061

IUPAC[4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C24H22N4O2/c29-24(27-14-12-21(15-27)30-16-19-5-3-4-13-25-19)18-8-10-20(11-9-18)28-17-26-22-6-1-2-7-23(22)28/h1-11,13,17,21H,12,14-16H2
InChIKeyNXELGPPUFAUMIG-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.85
Rot. Bonds5

About [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone

[4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone (PubChem CID 71850061) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
PubChem CID71850061
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C24H22N4O2/c29-24(27-14-12-21(15-27)30-16-19-5-3-4-13-25-19)18-8-10-20(11-9-18)28-17-26-22-6-1-2-7-23(22)28/h1-11,13,17,21H,12,14-16H2
InChIKeyNXELGPPUFAUMIG-UHFFFAOYSA-N
XLogP3.85
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[4-(benzimidazol-1-yl)phenyl]methanone
CID 40716447
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
[4-(benzimidazol-1-yl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488829
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
phenyl-[3-[(3R)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]sulfonylazetidin-1-yl]methanone
CID 97344616
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96578119
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
[4-(benzimidazol-1-yl)phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 41038540
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
[(3R,4R)-3-hydroxy-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 133132232
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 162633123

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone (CID 71850061) is [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone is O=C(c1ccc(-n2cnc3ccccc32)cc1)N1CCC(OCc2ccccn2)C1.
What is the InChIKey of [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is NXELGPPUFAUMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(27-14-12-21(15-27)30-16-19-5-3-4-13-25-19)18-8-10-20(11-9-18)28-17-26-22-6-1-2-7-23(22)28/h1-11,13,17,21H,12,14-16H2.
What are the key properties of [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone?
[4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone has a molecular weight of 398.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)phenyl]-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71850061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).