2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline

C16H21N3O — CID 43779111

IUPAC2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1-n1ccnc1
InChIInChI=1S/C16H21N3O/c1-20-16-9-5-3-7-14(16)18-13-6-2-4-8-15(13)19-11-10-17-12-19/h2,4,6,8,10-12,14,16,18H,3,5,7,9H2,1H3
InChIKeyDRZDCCZLJYTSCT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds4

About 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline

2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline (PubChem CID 43779111) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline
PubChem CID43779111
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1-n1ccnc1
InChIInChI=1S/C16H21N3O/c1-20-16-9-5-3-7-14(16)18-13-6-2-4-8-15(13)19-11-10-17-12-19/h2,4,6,8,10-12,14,16,18H,3,5,7,9H2,1H3
InChIKeyDRZDCCZLJYTSCT-UHFFFAOYSA-N
XLogP3.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline (CID 43779111) is 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1ccccc1-n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline?
The InChIKey is DRZDCCZLJYTSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-16-9-5-3-7-14(16)18-13-6-2-4-8-15(13)19-11-10-17-12-19/h2,4,6,8,10-12,14,16,18H,3,5,7,9H2,1H3.
What are the key properties of 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline?
2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline has a molecular weight of 271.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 43779111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).