1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide

C20H26ClN3O2 — CID 135110957

IUPAC1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCn1cncc1CN(CCO)C(=O)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C20H26ClN3O2/c1-23-15-22-13-18(23)14-24(11-12-25)19(26)20(9-3-2-4-10-20)16-5-7-17(21)8-6-16/h5-8,13,15,25H,2-4,9-12,14H2,1H3
InChIKeyFLVOTFSDQKOBCQ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.30
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide

1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 135110957) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID135110957
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCn1cncc1CN(CCO)C(=O)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C20H26ClN3O2/c1-23-15-22-13-18(23)14-24(11-12-25)19(26)20(9-3-2-4-10-20)16-5-7-17(21)8-6-16/h5-8,13,15,25H,2-4,9-12,14H2,1H3
InChIKeyFLVOTFSDQKOBCQ-UHFFFAOYSA-N
XLogP3.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107483376
1-(4-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 56509989
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
(3R)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135106882
N-(2-hydroxyethyl)-3-methyl-N-[(3-methylimidazol-4-yl)methyl]-3-phenylbutanamide
CID 135089433
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 91834430
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-N-ethylcyclobutane-1-carboxamide
CID 55372023
1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 47088976
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide (CID 135110957) is 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide is Cn1cncc1CN(CCO)C(=O)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is FLVOTFSDQKOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-23-15-22-13-18(23)14-24(11-12-25)19(26)20(9-3-2-4-10-20)16-5-7-17(21)8-6-16/h5-8,13,15,25H,2-4,9-12,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135110957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).