3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline

C16H20ClN3O — CID 106871626

IUPAC3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline
SMILESCOC1CCCC(Nc2cccc(Cl)c2-n2ccnc2)C1
InChIInChI=1S/C16H20ClN3O/c1-21-13-5-2-4-12(10-13)19-15-7-3-6-14(17)16(15)20-9-8-18-11-20/h3,6-9,11-13,19H,2,4-5,10H2,1H3
InChIKeyWOEBGKHXBSXURB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.90
Rot. Bonds4

About 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline

3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline (PubChem CID 106871626) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline
PubChem CID106871626
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline
SMILESCOC1CCCC(Nc2cccc(Cl)c2-n2ccnc2)C1
InChIInChI=1S/C16H20ClN3O/c1-21-13-5-2-4-12(10-13)19-15-7-3-6-14(17)16(15)20-9-8-18-11-20/h3,6-9,11-13,19H,2,4-5,10H2,1H3
InChIKeyWOEBGKHXBSXURB-UHFFFAOYSA-N
XLogP3.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
CID 64500411
3-chloro-N-(2,6-dimethylcyclohexyl)-2-imidazol-1-ylaniline
CID 43673619
N-(3-chloro-2-imidazol-1-ylphenyl)oxolan-3-amine
CID 63331377
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106871888
N-(3-chloro-2-imidazol-1-ylphenyl)-2-methylthian-3-amine
CID 79956645
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)-2-(cyclopropylamino)acetamide
CID 60843215
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
5-[(3-methoxycyclohexyl)amino]naphthalen-1-ol
CID 106871902
N-(3-methoxycyclohexyl)quinolin-5-amine
CID 106871532
N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
CID 106871747
N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 106871772

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline?
The IUPAC name of 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline (CID 106871626) is 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline.
What is the SMILES notation for 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline?
The canonical SMILES for 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline is COC1CCCC(Nc2cccc(Cl)c2-n2ccnc2)C1.
What is the InChIKey of 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline?
The InChIKey is WOEBGKHXBSXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-21-13-5-2-4-12(10-13)19-15-7-3-6-14(17)16(15)20-9-8-18-11-20/h3,6-9,11-13,19H,2,4-5,10H2,1H3.
What are the key properties of 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline?
3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline has a molecular weight of 305.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline is sourced from PubChem (CID 106871626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).