N-(4-chlorophenyl)imidazol-1-amine

C9H8ClN3 — CID 150116465

IUPACN-(4-chlorophenyl)imidazol-1-amine
SMILESClc1ccc(Nn2ccnc2)cc1
InChIInChI=1S/C9H8ClN3/c10-8-1-3-9(4-2-8)12-13-6-5-11-7-13/h1-7,12H
InChIKeyDYIPZPLXUOBWCA-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.41
Rot. Bonds2

About N-(4-chlorophenyl)imidazol-1-amine

N-(4-chlorophenyl)imidazol-1-amine (PubChem CID 150116465) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is N-(4-chlorophenyl)imidazol-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)imidazol-1-amine
PubChem CID150116465
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC NameN-(4-chlorophenyl)imidazol-1-amine
SMILESClc1ccc(Nn2ccnc2)cc1
InChIInChI=1S/C9H8ClN3/c10-8-1-3-9(4-2-8)12-13-6-5-11-7-13/h1-7,12H
InChIKeyDYIPZPLXUOBWCA-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
1-[(E)-2-(4-chlorophenyl)ethenyl]imidazole
CID 11252712
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
N-(2,4-dinitrosophenyl)imidazol-1-amine
CID 88957711
1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
CID 70637358
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
1-(4-chloroanilino)pyrrole-2,5-dione
CID 12587702
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780
1-imidazol-1-yl-3-phenylthiourea
CID 174434662
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821
(imidazol-1-ylamino)methylidenetungsten
CID 58934067
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)imidazol-1-amine?
The IUPAC name of N-(4-chlorophenyl)imidazol-1-amine (CID 150116465) is N-(4-chlorophenyl)imidazol-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)imidazol-1-amine?
The canonical SMILES for N-(4-chlorophenyl)imidazol-1-amine is Clc1ccc(Nn2ccnc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)imidazol-1-amine?
The InChIKey is DYIPZPLXUOBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-8-1-3-9(4-2-8)12-13-6-5-11-7-13/h1-7,12H.
What are the key properties of N-(4-chlorophenyl)imidazol-1-amine?
N-(4-chlorophenyl)imidazol-1-amine has a molecular weight of 193.64 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)imidazol-1-amine is sourced from PubChem (CID 150116465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).