1-[2-(2-chlorophenyl)propan-2-yl]imidazole

C12H13ClN2 — CID 142193020

IUPAC1-[2-(2-chlorophenyl)propan-2-yl]imidazole
SMILESCC(C)(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C12H13ClN2/c1-12(2,15-8-7-14-9-15)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyQKSUJCVWVAQELN-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.32
Rot. Bonds2

About 1-[2-(2-chlorophenyl)propan-2-yl]imidazole

1-[2-(2-chlorophenyl)propan-2-yl]imidazole (PubChem CID 142193020) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)propan-2-yl]imidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)propan-2-yl]imidazole
PubChem CID142193020
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-[2-(2-chlorophenyl)propan-2-yl]imidazole
SMILESCC(C)(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C12H13ClN2/c1-12(2,15-8-7-14-9-15)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyQKSUJCVWVAQELN-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(2-methoxyphenyl)-diphenylmethyl]imidazole
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1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
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CID 16494
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)propan-2-yl]imidazole?
The IUPAC name of 1-[2-(2-chlorophenyl)propan-2-yl]imidazole (CID 142193020) is 1-[2-(2-chlorophenyl)propan-2-yl]imidazole.
What is the SMILES notation for 1-[2-(2-chlorophenyl)propan-2-yl]imidazole?
The canonical SMILES for 1-[2-(2-chlorophenyl)propan-2-yl]imidazole is CC(C)(c1ccccc1Cl)n1ccnc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)propan-2-yl]imidazole?
The InChIKey is QKSUJCVWVAQELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-12(2,15-8-7-14-9-15)10-5-3-4-6-11(10)13/h3-9H,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)propan-2-yl]imidazole?
1-[2-(2-chlorophenyl)propan-2-yl]imidazole has a molecular weight of 220.70 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)propan-2-yl]imidazole is sourced from PubChem (CID 142193020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).