[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine

C12H14ClN3 — CID 106865995

IUPAC[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCc1ccc(Cn2cnc(CN)c2)c(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9-2-3-10(12(13)4-9)6-16-7-11(5-14)15-8-16/h2-4,7-8H,5-6,14H2,1H3
InChIKeyKWJJVXXJINPEBS-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.35
Rot. Bonds3

About [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine

[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 106865995) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
PubChem CID106865995
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
SMILESCc1ccc(Cn2cnc(CN)c2)c(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9-2-3-10(12(13)4-9)6-16-7-11(5-14)15-8-16/h2-4,7-8H,5-6,14H2,1H3
InChIKeyKWJJVXXJINPEBS-UHFFFAOYSA-N
XLogP2.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
CID 106720781
[3-[(2-chloro-4-methylphenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 106870107
(1-benzylimidazol-4-yl)methanamine
CID 82281097
N-[2-[1-[(2,4-dichlorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79986003
1-[(2-chloro-4-methylphenyl)methyl]-3-iodo-1,2,4-triazole
CID 106870865
[1-(pyridin-4-ylmethyl)imidazol-4-yl]methanamine
CID 82468655
[1-[(4-bromo-2-nitrophenyl)methyl]imidazol-4-yl]methanamine
CID 106718161
[1-[(2-fluorophenyl)methyl]imidazol-4-yl]methanamine
CID 82282978
2-[1-[(3-chloro-4-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 79982812
[1-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methanamine
CID 106718039
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine (CID 106865995) is [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine is Cc1ccc(Cn2cnc(CN)c2)c(Cl)c1.
What is the InChIKey of [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is KWJJVXXJINPEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-2-3-10(12(13)4-9)6-16-7-11(5-14)15-8-16/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine?
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106865995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).