(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

C21H22ClN3O — CID 45226307

IUPAC(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCn1c(CN2CCCC(C(=O)c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O/c1-24-19-7-3-2-6-18(19)23-20(24)14-25-12-4-5-16(13-25)21(26)15-8-10-17(22)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3
InChIKeyPHIQUWJGFHYXGK-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.32
Rot. Bonds4

About (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45226307) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
PubChem CID45226307
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCn1c(CN2CCCC(C(=O)c3ccc(Cl)cc3)C2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O/c1-24-19-7-3-2-6-18(19)23-20(24)14-25-12-4-5-16(13-25)21(26)15-8-10-17(22)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3
InChIKeyPHIQUWJGFHYXGK-UHFFFAOYSA-N
XLogP4.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124803223
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 25286163
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124808962
(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45232932
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124815112
[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 29185395
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (CID 45226307) is (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is Cn1c(CN2CCCC(C(=O)c3ccc(Cl)cc3)C2)nc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is PHIQUWJGFHYXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-24-19-7-3-2-6-18(19)23-20(24)14-25-12-4-5-16(13-25)21(26)15-8-10-17(22)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 367.88 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45226307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).