1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile

C18H11BrN4 — CID 10316619

IUPAC1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C(c2ccccc2)c2ccccc2Br)c1C#N
InChIInChI=1S/C18H11BrN4/c19-15-9-5-4-8-14(15)18(13-6-2-1-3-7-13)23-12-22-16(10-20)17(23)11-21/h1-9,12,18H
InChIKeyHBYCTKUKVYJSKW-UHFFFAOYSA-N
MW363.22 g/mol
LogP4.03
Rot. Bonds3

About 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile

1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile (PubChem CID 10316619) has the molecular formula C18H11BrN4 and a molecular weight of 363.22 g/mol. Its IUPAC name is 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile
PubChem CID10316619
Molecular FormulaC18H11BrN4
Molecular Weight363.22 g/mol
Exact Mass362.02
IUPAC Name1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C(c2ccccc2)c2ccccc2Br)c1C#N
InChIInChI=1S/C18H11BrN4/c19-15-9-5-4-8-14(15)18(13-6-2-1-3-7-13)23-12-22-16(10-20)17(23)11-21/h1-9,12,18H
InChIKeyHBYCTKUKVYJSKW-UHFFFAOYSA-N
XLogP4.03
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dicyanoimidazol-1-yl)-2-phenylacetic acid
CID 112594969
1-(2-phenyl-3-sulfanylpropyl)imidazole-4,5-dicarbonitrile
CID 112595930
(2R)-2-(4,5-dicyanoimidazol-1-yl)propanoic acid
CID 107427784
1-[1-(3,4-dichlorophenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 12947421
1-(3-oxobutan-2-yl)imidazole-4,5-dicarbonitrile
CID 112595248
1-[2-amino-1-(3-methoxyphenyl)ethyl]imidazole-4,5-dicarbonitrile
CID 115944592
1-[2-amino-1-(4-chlorophenyl)propyl]imidazole-4,5-dicarbonitrile
CID 115944623
1-pentan-2-ylimidazole-4,5-dicarbonitrile
CID 107887293
(2R)-2-(2-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile
CID 10545906
5-amino-1-(2-bromophenyl)imidazole-4-carbonitrile
CID 129453009
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375
3-bromo-5-(1-phenylethyl)pyridine-2-carbonitrile
CID 70498099

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile (CID 10316619) is 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile is N#Cc1ncn(C(c2ccccc2)c2ccccc2Br)c1C#N.
What is the InChIKey of 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile?
The InChIKey is HBYCTKUKVYJSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN4/c19-15-9-5-4-8-14(15)18(13-6-2-1-3-7-13)23-12-22-16(10-20)17(23)11-21/h1-9,12,18H.
What are the key properties of 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile?
1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile has a molecular weight of 363.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)-phenylmethyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 10316619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).