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

C22H24ClN3O — CID 45232932

IUPAC(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCCn1c(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)nc2ccccc21
InChIInChI=1S/C22H24ClN3O/c1-2-26-20-11-4-3-10-19(20)24-21(26)15-25-12-6-8-17(14-25)22(27)16-7-5-9-18(23)13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3
InChIKeyMEOZWIWVNWRDLA-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.80
Rot. Bonds5

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

(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 45232932) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
PubChem CID45232932
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCCn1c(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)nc2ccccc21
InChIInChI=1S/C22H24ClN3O/c1-2-26-20-11-4-3-10-19(20)24-21(26)15-25-12-6-8-17(14-25)22(27)16-7-5-9-18(23)13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3
InChIKeyMEOZWIWVNWRDLA-UHFFFAOYSA-N
XLogP4.80
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831134
[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 29185395
(3S)-N-(2,5-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124830402
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
[4-(2,5-dichlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124830810
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124830643
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 124820717
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 124799800
[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 124805524
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831139

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (CID 45232932) is (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is CCn1c(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)nc2ccccc21.
What is the InChIKey of (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is MEOZWIWVNWRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-2-26-20-11-4-3-10-19(20)24-21(26)15-25-12-6-8-17(14-25)22(27)16-7-5-9-18(23)13-16/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3.
What are the key properties of (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?
(3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 381.91 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 45232932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).