[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone

C25H23ClN4O — CID 46651328

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C25H23ClN4O/c1-18-27-23-16-19(10-11-24(23)30(18)21-7-3-2-4-8-21)25(31)29-14-12-28(13-15-29)22-9-5-6-20(26)17-22/h2-11,16-17H,12-15H2,1H3
InChIKeyRQYZDMLHZDWFSU-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.95
Rot. Bonds3

About [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone (PubChem CID 46651328) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
PubChem CID46651328
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
SMILESCc1nc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2n1-c1ccccc1
InChIInChI=1S/C25H23ClN4O/c1-18-27-23-16-19(10-11-24(23)30(18)21-7-3-2-4-8-21)25(31)29-14-12-28(13-15-29)22-9-5-6-20(26)17-22/h2-11,16-17H,12-15H2,1H3
InChIKeyRQYZDMLHZDWFSU-UHFFFAOYSA-N
XLogP4.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
(2-methyl-1-phenylbenzimidazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17398284
2-(4-fluorophenyl)-1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 55656773
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;dihydrochloride
CID 120656617
4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
CID 49418952
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone (CID 46651328) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone is Cc1nc2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2n1-c1ccccc1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
The InChIKey is RQYZDMLHZDWFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c1-18-27-23-16-19(10-11-24(23)30(18)21-7-3-2-4-8-21)25(31)29-14-12-28(13-15-29)22-9-5-6-20(26)17-22/h2-11,16-17H,12-15H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone has a molecular weight of 430.94 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 46651328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).