1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine

C14H18ClN3 — CID 114250877

IUPAC1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cccc(-n2ccnc2NCC(C)C)c1Cl
InChIInChI=1S/C14H18ClN3/c1-10(2)9-17-14-16-7-8-18(14)12-6-4-5-11(3)13(12)15/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyIRBNTACEIJCNQR-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.90
Rot. Bonds4

About 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine

1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 114250877) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID114250877
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cccc(-n2ccnc2NCC(C)C)c1Cl
InChIInChI=1S/C14H18ClN3/c1-10(2)9-17-14-16-7-8-18(14)12-6-4-5-11(3)13(12)15/h4-8,10H,9H2,1-3H3,(H,16,17)
InChIKeyIRBNTACEIJCNQR-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106560588
1-(2-fluoro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 114254445
1-(2-bromophenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106558572
1-(3-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106564075
1-(4-fluoro-2-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106559705
N-(2-methylpropyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106575920
1-(2-bromo-3-chlorophenyl)-N-ethylimidazol-2-amine
CID 106583604
1-(4-methoxyphenyl)-N-(2-methylpropyl)imidazol-2-amine
CID 106554623
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
N-(2-methylpropyl)-1-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577448
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106575432

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine (CID 114250877) is 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine is Cc1cccc(-n2ccnc2NCC(C)C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is IRBNTACEIJCNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10(2)9-17-14-16-7-8-18(14)12-6-4-5-11(3)13(12)15/h4-8,10H,9H2,1-3H3,(H,16,17).
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine?
1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 263.77 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 114250877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).