2-[(4-chlorophenyl)methyl]-1-methylimidazole

C11H11ClN2 — CID 143713939

IUPAC2-[(4-chlorophenyl)methyl]-1-methylimidazole
SMILESCn1ccnc1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2/c1-14-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyKZSQRHQYYPZXIC-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.66
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-1-methylimidazole

2-[(4-chlorophenyl)methyl]-1-methylimidazole (PubChem CID 143713939) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-methylimidazole
PubChem CID143713939
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name2-[(4-chlorophenyl)methyl]-1-methylimidazole
SMILESCn1ccnc1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2/c1-14-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3
InChIKeyKZSQRHQYYPZXIC-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
1-(4-chlorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79752787
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
1-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propan-1-one
CID 79737632
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]ethanamine
CID 82783395
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine
CID 82783396
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
CID 76853743
1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole
CID 117355823

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-methylimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-methylimidazole (CID 143713939) is 2-[(4-chlorophenyl)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-methylimidazole is Cn1ccnc1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-methylimidazole?
The InChIKey is KZSQRHQYYPZXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-14-7-6-13-11(14)8-9-2-4-10(12)5-3-9/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-methylimidazole?
2-[(4-chlorophenyl)methyl]-1-methylimidazole has a molecular weight of 206.68 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-methylimidazole is sourced from PubChem (CID 143713939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).