1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole

C20H19ClN2O — CID 72702879

IUPAC1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole
SMILESClc1ccccc1COc1ccc(C(C2CC2)n2ccnc2)cc1
InChIInChI=1S/C20H19ClN2O/c21-19-4-2-1-3-17(19)13-24-18-9-7-16(8-10-18)20(15-5-6-15)23-12-11-22-14-23/h1-4,7-12,14-15,20H,5-6,13H2
InChIKeyQHNCYQLVTRZTPT-UHFFFAOYSA-N
MW338.84 g/mol
LogP5.11
Rot. Bonds6

About 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole

1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole (PubChem CID 72702879) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole.

Molecular Properties

Compound Name1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole
PubChem CID72702879
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole
SMILESClc1ccccc1COc1ccc(C(C2CC2)n2ccnc2)cc1
InChIInChI=1S/C20H19ClN2O/c21-19-4-2-1-3-17(19)13-24-18-9-7-16(8-10-18)20(15-5-6-15)23-12-11-22-14-23/h1-4,7-12,14-15,20H,5-6,13H2
InChIKeyQHNCYQLVTRZTPT-UHFFFAOYSA-N
XLogP5.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole?
The IUPAC name of 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole (CID 72702879) is 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole.
What is the SMILES notation for 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole?
The canonical SMILES for 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole is Clc1ccccc1COc1ccc(C(C2CC2)n2ccnc2)cc1.
What is the InChIKey of 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole?
The InChIKey is QHNCYQLVTRZTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-19-4-2-1-3-17(19)13-24-18-9-7-16(8-10-18)20(15-5-6-15)23-12-11-22-14-23/h1-4,7-12,14-15,20H,5-6,13H2.
What are the key properties of 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole?
1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole has a molecular weight of 338.84 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-chlorophenyl)methoxy]phenyl]-cyclopropylmethyl]imidazole is sourced from PubChem (CID 72702879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).