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

C13H16ClN3 — CID 106556305

IUPACN-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nccn1C(C)C
InChIInChI=1S/C13H16ClN3/c1-9(2)17-8-7-15-13(17)16-12-6-4-5-11(14)10(12)3/h4-9H,1-3H3,(H,15,16)
InChIKeyNHDIAXWIUWMOBQ-UHFFFAOYSA-N
MW249.75 g/mol
LogP4.17
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106556305) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106556305
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nccn1C(C)C
InChIInChI=1S/C13H16ClN3/c1-9(2)17-8-7-15-13(17)16-12-6-4-5-11(14)10(12)3/h4-9H,1-3H3,(H,15,16)
InChIKeyNHDIAXWIUWMOBQ-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-phenylimidazol-2-amine
CID 106556318
N-(3-chloro-2-methylphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106556313
N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106556357
N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine
CID 107628310
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
N-(3,5-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106559222
N-(3,4-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106560254
3-chloro-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylaniline
CID 43758594
4-N-(3-chloro-2-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027234
6-N-(3-chloro-2-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 80763212
1-propan-2-yl-N-(4-propan-2-yloxyphenyl)imidazol-2-amine
CID 106560811
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine (CID 106556305) is N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine is Cc1c(Cl)cccc1Nc1nccn1C(C)C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is NHDIAXWIUWMOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9(2)17-8-7-15-13(17)16-12-6-4-5-11(14)10(12)3/h4-9H,1-3H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine?
N-(3-chloro-2-methylphenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 249.75 g/mol, XLogP of 4.17, 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)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106556305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).