N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine

C14H18ClN3 — CID 106556313

IUPACN-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C14H18ClN3/c1-9(2)18-8-10(3)16-14(18)17-13-7-5-6-12(15)11(13)4/h5-9H,1-4H3,(H,16,17)
InChIKeyJVPFCGGCRCXRGU-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.48
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine

N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine (PubChem CID 106556313) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
PubChem CID106556313
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)C)c(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C14H18ClN3/c1-9(2)18-8-10(3)16-14(18)17-13-7-5-6-12(15)11(13)4/h5-9H,1-4H3,(H,16,17)
InChIKeyJVPFCGGCRCXRGU-UHFFFAOYSA-N
XLogP4.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-methyl-1-phenylimidazol-2-amine
CID 106556333
N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556305
N-(2-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106555707
4-methyl-1-propan-2-yl-N-(2-propylphenyl)imidazol-2-amine
CID 106567383
N-(3-chloro-2-fluorophenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106560747
N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyridin-3-amine
CID 106555167
N-(2,5-dibromophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106566391
N-(3-chloro-2-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106560763
N-(4-methyl-1-propan-2-ylimidazol-2-yl)pyrimidin-5-amine
CID 107590715
N-(2,3-dichlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560336
N-(2-bromo-6-fluorophenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 107605144
4-methyl-1-propan-2-yl-N-(4-propylphenyl)imidazol-2-amine
CID 106561547

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine (CID 106556313) is N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine is Cc1cn(C(C)C)c(Nc2cccc(Cl)c2C)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
The InChIKey is JVPFCGGCRCXRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)18-8-10(3)16-14(18)17-13-7-5-6-12(15)11(13)4/h5-9H,1-4H3,(H,16,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine?
N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine has a molecular weight of 263.77 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106556313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).