N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline

C17H23N3 — CID 64760237

IUPACN-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
SMILESCC1CCCC(Nc2ccc(-c3cnc[nH]3)cc2)C1C
InChIInChI=1S/C17H23N3/c1-12-4-3-5-16(13(12)2)20-15-8-6-14(7-9-15)17-10-18-11-19-17/h6-13,16,20H,3-5H2,1-2H3,(H,18,19)
InChIKeyGWRYXEPQROXSAC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.31
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline

N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline (PubChem CID 64760237) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
PubChem CID64760237
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline
SMILESCC1CCCC(Nc2ccc(-c3cnc[nH]3)cc2)C1C
InChIInChI=1S/C17H23N3/c1-12-4-3-5-16(13(12)2)20-15-8-6-14(7-9-15)17-10-18-11-19-17/h6-13,16,20H,3-5H2,1-2H3,(H,18,19)
InChIKeyGWRYXEPQROXSAC-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline (CID 64760237) is N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline is CC1CCCC(Nc2ccc(-c3cnc[nH]3)cc2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline?
The InChIKey is GWRYXEPQROXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-4-3-5-16(13(12)2)20-15-8-6-14(7-9-15)17-10-18-11-19-17/h6-13,16,20H,3-5H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline?
N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 64760237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).