6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole

C20H21Cl2N3 — CID 10714425

IUPAC6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole
SMILESCC1CCN(c2nc3ccc(Cl)cc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21Cl2N3/c1-14-7-9-24(10-8-14)20-23-18-6-5-17(22)12-19(18)25(20)13-15-3-2-4-16(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeySXAHSSWNWWSAPF-UHFFFAOYSA-N
MW374.32 g/mol
LogP5.63
Rot. Bonds3

About 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole

6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole (PubChem CID 10714425) has the molecular formula C20H21Cl2N3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole
PubChem CID10714425
Molecular FormulaC20H21Cl2N3
Molecular Weight374.32 g/mol
Exact Mass373.11
IUPAC Name6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole
SMILESCC1CCN(c2nc3ccc(Cl)cc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H21Cl2N3/c1-14-7-9-24(10-8-14)20-23-18-6-5-17(22)12-19(18)25(20)13-15-3-2-4-16(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3
InChIKeySXAHSSWNWWSAPF-UHFFFAOYSA-N
XLogP5.63
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-4-ol
CID 71649830
(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-ol
CID 97169373
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
1-[1-(1,3-benzodioxol-5-ylmethyl)-6-chlorobenzimidazol-2-yl]piperidine-4-carboxylic acid
CID 23369532
ethyl 1-[[6-chloro-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]piperidine-4-carboxylate
CID 134084281
1-[(3-chlorophenyl)methyl]-2-cyclopentyl-6-propylsulfanylbenzimidazole
CID 134084077
methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
CID 10546679
tert-butyl N-[[(3R)-1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methyl]carbamate
CID 97174396
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
tert-butyl N-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]-N-methylcarbamate
CID 71647025
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
2-(chloromethyl)-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazole
CID 62533960

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole?
The IUPAC name of 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole (CID 10714425) is 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole.
What is the SMILES notation for 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole?
The canonical SMILES for 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole is CC1CCN(c2nc3ccc(Cl)cc3n2Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole?
The InChIKey is SXAHSSWNWWSAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3/c1-14-7-9-24(10-8-14)20-23-18-6-5-17(22)12-19(18)25(20)13-15-3-2-4-16(21)11-15/h2-6,11-12,14H,7-10,13H2,1H3.
What are the key properties of 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole?
6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole has a molecular weight of 374.32 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzimidazole is sourced from PubChem (CID 10714425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).