2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile

C19H16ClN3O — CID 15099395

IUPAC2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
SMILESCOc1cccc(-c2nc(Cl)c(CC#N)n2Cc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O/c1-24-16-9-5-8-15(12-16)19-22-18(20)17(10-11-21)23(19)13-14-6-3-2-4-7-14/h2-9,12H,10,13H2,1H3
InChIKeyDAVOOSKDXWTOOB-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.33
Rot. Bonds5

About 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile

2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile (PubChem CID 15099395) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
PubChem CID15099395
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
SMILESCOc1cccc(-c2nc(Cl)c(CC#N)n2Cc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O/c1-24-16-9-5-8-15(12-16)19-22-18(20)17(10-11-21)23(19)13-14-6-3-2-4-7-14/h2-9,12H,10,13H2,1H3
InChIKeyDAVOOSKDXWTOOB-UHFFFAOYSA-N
XLogP4.33
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
CID 15099388
2-[3-benzyl-5-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)imidazol-4-yl]acetonitrile
CID 13075834
3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde
CID 15099328
2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
CID 23025908
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
2-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]acetonitrile
CID 39157929
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
CID 15099345
2-(5-amino-3-benzyl-2-methylimidazol-4-yl)acetonitrile
CID 98009878
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
1-[(3-methoxyphenyl)methyl]-4,5-dimethylimidazole-2-carbonitrile
CID 166243341

Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile?
The IUPAC name of 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile (CID 15099395) is 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile?
The canonical SMILES for 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile is COc1cccc(-c2nc(Cl)c(CC#N)n2Cc2ccccc2)c1.
What is the InChIKey of 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile?
The InChIKey is DAVOOSKDXWTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-24-16-9-5-8-15(12-16)19-22-18(20)17(10-11-21)23(19)13-14-6-3-2-4-7-14/h2-9,12H,10,13H2,1H3.
What are the key properties of 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile?
2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile has a molecular weight of 337.81 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile is sourced from PubChem (CID 15099395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).