3-chloro-N-hexyl-2-imidazol-1-ylaniline

C15H20ClN3 — CID 43673598

IUPAC3-chloro-N-hexyl-2-imidazol-1-ylaniline
SMILESCCCCCCNc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H20ClN3/c1-2-3-4-5-9-18-14-8-6-7-13(16)15(14)19-11-10-17-12-19/h6-8,10-12,18H,2-5,9H2,1H3
InChIKeyZHHWNTFVVWWJDU-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.52
Rot. Bonds7

About 3-chloro-N-hexyl-2-imidazol-1-ylaniline

3-chloro-N-hexyl-2-imidazol-1-ylaniline (PubChem CID 43673598) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-chloro-N-hexyl-2-imidazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-hexyl-2-imidazol-1-ylaniline
PubChem CID43673598
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-chloro-N-hexyl-2-imidazol-1-ylaniline
SMILESCCCCCCNc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H20ClN3/c1-2-3-4-5-9-18-14-8-6-7-13(16)15(14)19-11-10-17-12-19/h6-8,10-12,18H,2-5,9H2,1H3
InChIKeyZHHWNTFVVWWJDU-UHFFFAOYSA-N
XLogP4.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-heptan-4-yl-2-imidazol-1-ylaniline
CID 43673648
N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441412
3-chloro-2-fluoro-N-octylaniline
CID 43129398
N-butyl-3-chloro-2-(1,2,4-triazol-1-yl)aniline
CID 43726263
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 83089931
3-chloro-2-methyl-N-octylaniline
CID 43129192
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
3-chloro-1-N-hexylbenzene-1,2-diamine
CID 104834589
3-chloro-1-N-decylbenzene-1,2-diamine
CID 104834723
3-chloro-2-imidazol-1-yl-N-(3-methylcyclopentyl)aniline
CID 64500411
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline
CID 43673667

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hexyl-2-imidazol-1-ylaniline?
The IUPAC name of 3-chloro-N-hexyl-2-imidazol-1-ylaniline (CID 43673598) is 3-chloro-N-hexyl-2-imidazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-hexyl-2-imidazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-hexyl-2-imidazol-1-ylaniline is CCCCCCNc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 3-chloro-N-hexyl-2-imidazol-1-ylaniline?
The InChIKey is ZHHWNTFVVWWJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-3-4-5-9-18-14-8-6-7-13(16)15(14)19-11-10-17-12-19/h6-8,10-12,18H,2-5,9H2,1H3.
What are the key properties of 3-chloro-N-hexyl-2-imidazol-1-ylaniline?
3-chloro-N-hexyl-2-imidazol-1-ylaniline has a molecular weight of 277.80 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hexyl-2-imidazol-1-ylaniline is sourced from PubChem (CID 43673598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).