[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone

C24H20Cl2N4O — CID 121080190

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H20Cl2N4O/c25-20-8-7-19(15-21(20)26)28-10-12-29(13-11-28)24(31)17-6-9-23-22(14-17)27-16-30(23)18-4-2-1-3-5-18/h1-9,14-16H,10-13H2
InChIKeySVJYOILNEKDDNJ-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.29
Rot. Bonds3

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone

[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone (PubChem CID 121080190) has the molecular formula C24H20Cl2N4O and a molecular weight of 451.36 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone
PubChem CID121080190
Molecular FormulaC24H20Cl2N4O
Molecular Weight451.36 g/mol
Exact Mass450.10
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H20Cl2N4O/c25-20-8-7-19(15-21(20)26)28-10-12-29(13-11-28)24(31)17-6-9-23-22(14-17)27-16-30(23)18-4-2-1-3-5-18/h1-9,14-16H,10-13H2
InChIKeySVJYOILNEKDDNJ-UHFFFAOYSA-N
XLogP5.29
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824
2-[4-[1-(4-fluorophenyl)benzimidazole-5-carbonyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 138543629
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
[1-(4-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307830
(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840741
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
CID 1337040
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 71251911
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 10094128

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone (CID 121080190) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone is O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone?
The InChIKey is SVJYOILNEKDDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O/c25-20-8-7-19(15-21(20)26)28-10-12-29(13-11-28)24(31)17-6-9-23-22(14-17)27-16-30(23)18-4-2-1-3-5-18/h1-9,14-16H,10-13H2.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone has a molecular weight of 451.36 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-(1-phenylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 121080190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).