3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline

C18H25N3 — CID 63428404

IUPAC3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2cccc(-n3ccnc3)c2)CC1
InChIInChI=1S/C18H25N3/c1-14(2)15-6-8-16(9-7-15)20-17-4-3-5-18(12-17)21-11-10-19-13-21/h3-5,10-16,20H,6-9H2,1-2H3
InChIKeyIXIDUFKGGZAUQY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds4

About 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline

3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline (PubChem CID 63428404) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
PubChem CID63428404
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
SMILESCC(C)C1CCC(Nc2cccc(-n3ccnc3)c2)CC1
InChIInChI=1S/C18H25N3/c1-14(2)15-6-8-16(9-7-15)20-17-4-3-5-18(12-17)21-11-10-19-13-21/h3-5,10-16,20H,6-9H2,1-2H3
InChIKeyIXIDUFKGGZAUQY-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
N-(4-ethylcyclohexyl)-3-imidazol-1-ylaniline
CID 43678323
3-imidazol-1-yl-N-(4-propylcyclohexyl)aniline
CID 43678288
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
N-(3-imidazol-1-ylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864855
3-N,3-N-dimethyl-1-N-(4-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 115375907
N-(3-imidazol-1-ylphenyl)cyclopropanecarboxamide
CID 47215374
N-(3,4-dimethylcyclohexyl)-3-(1,2,4-triazol-4-yl)aniline
CID 64732793
3-(cyclopropylamino)-N-(3-imidazol-1-ylphenyl)propanamide
CID 60866705
N-hexan-2-yl-3-imidazol-1-ylaniline
CID 43779875
2-amino-N-(3-imidazol-1-ylphenyl)-3-methylbutanamide
CID 43701216
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline (CID 63428404) is 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline is CC(C)C1CCC(Nc2cccc(-n3ccnc3)c2)CC1.
What is the InChIKey of 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline?
The InChIKey is IXIDUFKGGZAUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(2)15-6-8-16(9-7-15)20-17-4-3-5-18(12-17)21-11-10-19-13-21/h3-5,10-16,20H,6-9H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline?
3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 63428404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).