2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

C15H20ClN3 — CID 107443913

IUPAC2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-11(2)13(7-17)15-8-18-10-19(15)9-12-5-3-4-6-14(12)16/h3-6,8,10-11,13H,7,9,17H2,1-2H3
InChIKeyXQZQXWYGVRZFQQ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.28
Rot. Bonds5

About 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine

2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107443913) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107443913
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-11(2)13(7-17)15-8-18-10-19(15)9-12-5-3-4-6-14(12)16/h3-6,8,10-11,13H,7,9,17H2,1-2H3
InChIKeyXQZQXWYGVRZFQQ-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 106040953
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
2-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444265
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444004
3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716564
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 107443913) is 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is CC(C)C(CN)c1cncn1Cc1ccccc1Cl.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is XQZQXWYGVRZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11(2)13(7-17)15-8-18-10-19(15)9-12-5-3-4-6-14(12)16/h3-6,8,10-11,13H,7,9,17H2,1-2H3.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).