[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone

C22H21Cl2N3O — CID 10273200

IUPAC[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N3O/c1-26-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(26)22(28)27-13-3-2-4-14-27/h5-12H,2-4,13-14H2,1H3
InChIKeyOOCSSGMNPWJQRK-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.69
Rot. Bonds3

About [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone

[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone (PubChem CID 10273200) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
PubChem CID10273200
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
SMILESCn1c(C(=O)N2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N3O/c1-26-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(26)22(28)27-13-3-2-4-14-27/h5-12H,2-4,13-14H2,1H3
InChIKeyOOCSSGMNPWJQRK-UHFFFAOYSA-N
XLogP5.69
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis(4-chlorophenyl)-N-cyclohexyl-1-methylimidazole-2-carboxamide
CID 10202808
[1-(4-chlorophenyl)imidazo[1,5-a]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 134795474
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
4-[5-(4-chlorophenyl)-1,4-dimethyl-3-(pyrrolidine-1-carbonyl)pyrrol-2-yl]benzenesulfonamide
CID 118576308
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
CID 10274740
4,5-bis(2,4-dichlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
CID 10207068
[8-chloro-2,3-bis(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 24743219
[4-(4-chlorophenyl)-2-propan-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(4-methylphenyl)methanone
CID 134790942

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone (CID 10273200) is [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone is Cn1c(C(=O)N2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is OOCSSGMNPWJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c1-26-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(26)22(28)27-13-3-2-4-14-27/h5-12H,2-4,13-14H2,1H3.
What are the key properties of [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone?
[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 414.34 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 10273200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).