N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine

C14H16ClN3 — CID 106560892

IUPACN-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
SMILESCc1ccc(Nc2nc(C)cn2C2CC2)c(Cl)c1
InChIInChI=1S/C14H16ClN3/c1-9-3-6-13(12(15)7-9)17-14-16-10(2)8-18(14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,16,17)
InChIKeyNRNXTJPSTZIOQO-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.23
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine

N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine (PubChem CID 106560892) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
PubChem CID106560892
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
SMILESCc1ccc(Nc2nc(C)cn2C2CC2)c(Cl)c1
InChIInChI=1S/C14H16ClN3/c1-9-3-6-13(12(15)7-9)17-14-16-10(2)8-18(14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,16,17)
InChIKeyNRNXTJPSTZIOQO-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine
CID 106576412
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106560607
N-(2-chloro-4-methylphenyl)-1-cyclohexylimidazol-2-amine
CID 106560907
1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
CID 106574142
1-cyclopentyl-N-(2,6-dichloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106578790
N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106576267
N-(2-bromo-5-methoxyphenyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106574191
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556
1-cyclopropyl-4-methyl-N-naphthalen-2-ylimidazol-2-amine
CID 106565468
1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559274
1-cyclopropyl-4-methyl-N-(2-methylpyrazol-3-yl)imidazol-2-amine
CID 106565858
N-(1-cyclopentyl-4-methylimidazol-2-yl)-2-methylpyridin-3-amine
CID 106575862

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine (CID 106560892) is N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine is Cc1ccc(Nc2nc(C)cn2C2CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
The InChIKey is NRNXTJPSTZIOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-3-6-13(12(15)7-9)17-14-16-10(2)8-18(14)11-4-5-11/h3,6-8,11H,4-5H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine?
N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine has a molecular weight of 261.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-1-cyclopropyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106560892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).