N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline

C17H23N3 — CID 43786474

IUPACN-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C17H23N3/c1-13(14-5-3-2-4-6-14)20-16-9-7-15(8-10-16)17-11-18-12-19-17/h7-14,20H,2-6H2,1H3,(H,18,19)
InChIKeyROSUZCIVGKKGMA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.46
Rot. Bonds4

About N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline

N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline (PubChem CID 43786474) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
PubChem CID43786474
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline
SMILESCC(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C17H23N3/c1-13(14-5-3-2-4-6-14)20-16-9-7-15(8-10-16)17-11-18-12-19-17/h7-14,20H,2-6H2,1H3,(H,18,19)
InChIKeyROSUZCIVGKKGMA-UHFFFAOYSA-N
XLogP4.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-4-(1H-imidazol-5-yl)aniline
CID 113489788
N-[4-(1H-imidazol-5-yl)phenyl]cyclooctanamine
CID 43722407
N-cyclopentyl-4-(1H-imidazol-5-yl)aniline
CID 43722405
N-cyclopropyl-4-(1H-imidazol-5-yl)aniline
CID 103439039
N-[4-(1H-imidazol-5-yl)phenyl]cyclohexanecarboxamide
CID 110471674
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
CID 91956301
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084298
4-(1H-imidazol-5-yl)-N-[1-(2-methylphenyl)ethyl]aniline
CID 43722465
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
CID 64760237
N-(3-ethylcyclopentyl)-4-(1H-imidazol-5-yl)aniline
CID 64501713
N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine
CID 43786661

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline?
The IUPAC name of N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline (CID 43786474) is N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline?
The canonical SMILES for N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline is CC(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline?
The InChIKey is ROSUZCIVGKKGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(14-5-3-2-4-6-14)20-16-9-7-15(8-10-16)17-11-18-12-19-17/h7-14,20H,2-6H2,1H3,(H,18,19).
What are the key properties of N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline?
N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-4-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 43786474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).