1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole

C25H21ClN2 — CID 13326948

IUPAC1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
SMILESClc1ccc(C2(Cn3ccnc3)CC2c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21ClN2/c26-23-12-10-22(11-13-23)25(17-28-15-14-27-18-28)16-24(25)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-15,18,24H,16-17H2
InChIKeyPGPSMWLNWWELHG-UHFFFAOYSA-N
MW384.91 g/mol
LogP6.33
Rot. Bonds5

About 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole

1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole (PubChem CID 13326948) has the molecular formula C25H21ClN2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
PubChem CID13326948
Molecular FormulaC25H21ClN2
Molecular Weight384.91 g/mol
Exact Mass384.14
IUPAC Name1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
SMILESClc1ccc(C2(Cn3ccnc3)CC2c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H21ClN2/c26-23-12-10-22(11-13-23)25(17-28-15-14-27-18-28)16-24(25)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-15,18,24H,16-17H2
InChIKeyPGPSMWLNWWELHG-UHFFFAOYSA-N
XLogP6.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2S,4S)-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 154680857
1-[[2-[2-(4-chlorophenyl)ethyl]-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 67157895
(3-chlorophenyl) (2R,4S)-2-(imidazol-1-ylmethyl)-2-(4-phenylphenyl)-1,3-dioxolane-4-carboxylate
CID 510066
[(2R,4S)-2-(4-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate
CID 13263560
1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride
CID 10045830
[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 14326454
N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
CID 86742471
1-[[(2S,4R)-2-(2-chloro-4-methoxyphenyl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 54079230
1-[3-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 70545882
1-[[(2R,4R)-2-(5-chlorothiophen-2-yl)-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;nitric acid
CID 70592067
1-[[4-[[4-(4-chlorophenyl)phenoxy]methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507834
1-[(3-phenylpyrrol-1-yl)methyl]imidazole
CID 141118913

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole?
The IUPAC name of 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole (CID 13326948) is 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole is Clc1ccc(C2(Cn3ccnc3)CC2c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole?
The InChIKey is PGPSMWLNWWELHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2/c26-23-12-10-22(11-13-23)25(17-28-15-14-27-18-28)16-24(25)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-15,18,24H,16-17H2.
What are the key properties of 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole?
1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole has a molecular weight of 384.91 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole is sourced from PubChem (CID 13326948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).