3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline

C17H22ClN3 — CID 43673619

IUPAC3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline
SMILESCC1CCCC(C)C1Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C17H22ClN3/c1-12-5-3-6-13(2)16(12)20-15-8-4-7-14(18)17(15)21-10-9-19-11-21/h4,7-13,16,20H,3,5-6H2,1-2H3
InChIKeyCFKNHRVYZBSRHQ-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.76
Rot. Bonds3

About 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline

3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline (PubChem CID 43673619) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline
PubChem CID43673619
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline
SMILESCC1CCCC(C)C1Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C17H22ClN3/c1-12-5-3-6-13(2)16(12)20-15-8-4-7-14(18)17(15)21-10-9-19-11-21/h4,7-13,16,20H,3,5-6H2,1-2H3
InChIKeyCFKNHRVYZBSRHQ-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
CID 64500411
N-(3-chloro-2-imidazol-1-ylphenyl)-2-methylthian-3-amine
CID 79956645
3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline
CID 106871626
N-(3-chloro-2-imidazol-1-ylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824103
N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
CID 63331377
N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 43699228
(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119583
3-chloro-N-heptan-4-yl-2-imidazol-1-ylaniline
CID 43673648
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
CID 60843215
3-chloro-N-hexyl-2-imidazol-1-ylaniline
CID 43673598
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The IUPAC name of 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline (CID 43673619) is 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline is CC1CCCC(C)C1Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
The InChIKey is CFKNHRVYZBSRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-5-3-6-13(2)16(12)20-15-8-4-7-14(18)17(15)21-10-9-19-11-21/h4,7-13,16,20H,3,5-6H2,1-2H3.
What are the key properties of 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline?
3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline has a molecular weight of 303.84 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline is sourced from PubChem (CID 43673619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).