[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C26H23Cl3N4O — CID 4915135

IUPAC[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4n3Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H23Cl3N4O/c1-31-10-12-32(13-11-31)26(34)19-6-4-18(5-7-19)25-30-23-14-21(28)22(29)15-24(23)33(25)16-17-2-8-20(27)9-3-17/h2-9,14-15H,10-13,16H2,1H3
InChIKeyANGVLKHOAXWIQT-UHFFFAOYSA-N
MW513.86 g/mol
LogP6.10
Rot. Bonds4

About [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 4915135) has the molecular formula C26H23Cl3N4O and a molecular weight of 513.86 g/mol. Its IUPAC name is [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID4915135
Molecular FormulaC26H23Cl3N4O
Molecular Weight513.86 g/mol
Exact Mass512.09
IUPAC Name[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4n3Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C26H23Cl3N4O/c1-31-10-12-32(13-11-31)26(34)19-6-4-18(5-7-19)25-30-23-14-21(28)22(29)15-24(23)33(25)16-17-2-8-20(27)9-3-17/h2-9,14-15H,10-13,16H2,1H3
InChIKeyANGVLKHOAXWIQT-UHFFFAOYSA-N
XLogP6.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.86
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 4915131
5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161938
3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one
CID 46324759
(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 103875464
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
[2-[(4-chlorophenyl)methylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325870
1-[(4-fluorophenyl)methyl]-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3H-imidazo[4,5-b]pyrazin-2-one
CID 126469846
[4-[[(5,7-dichloro-1,3-benzoxazol-2-yl)amino]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 166229303
1-[4-[3-(1-benzylbenzimidazol-2-yl)benzoyl]piperazin-1-yl]ethanone
CID 90040069
(4-methylpiperazin-1-yl)-[2-naphthalen-1-yl-1-(naphthalen-1-ylmethyl)benzimidazol-5-yl]methanone
CID 155598879
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 50848041
methyl 1-[(4-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]benzimidazole-5-carboxylate
CID 4915435

Frequently Asked Questions

What is the IUPAC name of [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 4915135) is [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3nc4cc(Cl)c(Cl)cc4n3Cc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ANGVLKHOAXWIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N4O/c1-31-10-12-32(13-11-31)26(34)19-6-4-18(5-7-19)25-30-23-14-21(28)22(29)15-24(23)33(25)16-17-2-8-20(27)9-3-17/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 513.86 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4915135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).