[1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C26H24Cl2N4O — CID 46190162

IUPAC[1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)c1nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H24Cl2N4O/c1-16(2)25-30-23-10-17(5-6-24(23)32(25)22-12-20(27)11-21(28)13-22)26(33)31-9-7-19(15-31)18-4-3-8-29-14-18/h3-6,8,10-14,16,19H,7,9,15H2,1-2H3
InChIKeyYPJNKEMSXXAOGJ-UHFFFAOYSA-N
MW479.41 g/mol
LogP6.48
Rot. Bonds4

About [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

[1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 46190162) has the molecular formula C26H24Cl2N4O and a molecular weight of 479.41 g/mol. Its IUPAC name is [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID46190162
Molecular FormulaC26H24Cl2N4O
Molecular Weight479.41 g/mol
Exact Mass478.13
IUPAC Name[1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCC(C)c1nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H24Cl2N4O/c1-16(2)25-30-23-10-17(5-6-24(23)32(25)22-12-20(27)11-21(28)13-22)26(33)31-9-7-19(15-31)18-4-3-8-29-14-18/h3-6,8,10-14,16,19H,7,9,15H2,1-2H3
InChIKeyYPJNKEMSXXAOGJ-UHFFFAOYSA-N
XLogP6.48
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclopropyl-2-phenylbenzimidazol-5-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190523
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
CID 46846484
[1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190582
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
[4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46846683
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342
(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 58838391
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72913685
[4-[1-hydroxy-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134080726

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 46190162) is [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is CC(C)c1nc2cc(C(=O)N3CCC(c4cccnc4)C3)ccc2n1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is YPJNKEMSXXAOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4O/c1-16(2)25-30-23-10-17(5-6-24(23)32(25)22-12-20(27)11-21(28)13-22)26(33)31-9-7-19(15-31)18-4-3-8-29-14-18/h3-6,8,10-14,16,19H,7,9,15H2,1-2H3.
What are the key properties of [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
[1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 479.41 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichlorophenyl)-2-propan-2-ylbenzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46190162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).