4-chloro-1-[(2-methylphenyl)methyl]imidazole

C11H11ClN2 — CID 167287663

IUPAC4-chloro-1-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cn1cnc(Cl)c1
InChIInChI=1S/C11H11ClN2/c1-9-4-2-3-5-10(9)6-14-7-11(12)13-8-14/h2-5,7-8H,6H2,1H3
InChIKeyOLCRXGXNWMSVIW-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.89
Rot. Bonds2

About 4-chloro-1-[(2-methylphenyl)methyl]imidazole

4-chloro-1-[(2-methylphenyl)methyl]imidazole (PubChem CID 167287663) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 4-chloro-1-[(2-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name4-chloro-1-[(2-methylphenyl)methyl]imidazole
PubChem CID167287663
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name4-chloro-1-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cn1cnc(Cl)c1
InChIInChI=1S/C11H11ClN2/c1-9-4-2-3-5-10(9)6-14-7-11(12)13-8-14/h2-5,7-8H,6H2,1H3
InChIKeyOLCRXGXNWMSVIW-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582051
3-chloro-4-[(2-methylphenyl)methyl]-1,2,4-triazole
CID 63385384
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920
2-[(4-methylimidazol-1-yl)methyl]benzonitrile
CID 68674077
5-chloro-1-[(2-methylphenyl)methyl]-3-phenylpyrazole
CID 66014891
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
CID 63926468
1-(chloromethyl)-2-methylbenzene
CID 11093
1-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4-carbaldehyde
CID 63272590
5-chloro-3-methyl-1-[(2-methylphenyl)methyl]-4-nitropyrazole
CID 66014694
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
CID 83303844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2-methylphenyl)methyl]imidazole?
The IUPAC name of 4-chloro-1-[(2-methylphenyl)methyl]imidazole (CID 167287663) is 4-chloro-1-[(2-methylphenyl)methyl]imidazole.
What is the SMILES notation for 4-chloro-1-[(2-methylphenyl)methyl]imidazole?
The canonical SMILES for 4-chloro-1-[(2-methylphenyl)methyl]imidazole is Cc1ccccc1Cn1cnc(Cl)c1.
What is the InChIKey of 4-chloro-1-[(2-methylphenyl)methyl]imidazole?
The InChIKey is OLCRXGXNWMSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-9-4-2-3-5-10(9)6-14-7-11(12)13-8-14/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-chloro-1-[(2-methylphenyl)methyl]imidazole?
4-chloro-1-[(2-methylphenyl)methyl]imidazole has a molecular weight of 206.68 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2-methylphenyl)methyl]imidazole is sourced from PubChem (CID 167287663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).