(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C26H24N4O — CID 46190523

IUPAC(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)nc(-c1ccccc1)n2C1CC1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C26H24N4O/c31-26(29-14-12-21(17-29)20-7-4-13-27-16-20)19-8-11-24-23(15-19)28-25(30(24)22-9-10-22)18-5-2-1-3-6-18/h1-8,11,13,15-16,21-22H,9-10,12,14,17H2
InChIKeyVVGXQAYLUZSOJU-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.06
Rot. Bonds4

About (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 46190523) has the molecular formula C26H24N4O and a molecular weight of 408.50 g/mol. Its IUPAC name is (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID46190523
Molecular FormulaC26H24N4O
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)nc(-c1ccccc1)n2C1CC1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C26H24N4O/c31-26(29-14-12-21(17-29)20-7-4-13-27-16-20)19-8-11-24-23(15-19)28-25(30(24)22-9-10-22)18-5-2-1-3-6-18/h1-8,11,13,15-16,21-22H,9-10,12,14,17H2
InChIKeyVVGXQAYLUZSOJU-UHFFFAOYSA-N
XLogP5.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190582
(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
CID 46846484
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
[1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190162
(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
[4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46846683
2-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23515885
1-cyclopentyl-2-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515765
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
1-cyclohexyl-2-[4-(2-pyridin-3-ylethylcarbamoyl)phenyl]benzimidazole-5-carboxylic acid
CID 23515556

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 46190523) is (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccc2c(c1)nc(-c1ccccc1)n2C1CC1)N1CCC(c2cccnc2)C1.
What is the InChIKey of (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is VVGXQAYLUZSOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26(29-14-12-21(17-29)20-7-4-13-27-16-20)19-8-11-24-23(15-19)28-25(30(24)22-9-10-22)18-5-2-1-3-6-18/h1-8,11,13,15-16,21-22H,9-10,12,14,17H2.
What are the key properties of (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 408.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46190523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).