3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile

C20H15ClN4O — CID 121442754

IUPAC3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(Cl)nc12
InChIInChI=1S/C20H15ClN4O/c1-10-4-5-13(9-22)6-15(10)16-7-14(18-11(2)25-26-12(18)3)8-17-19(16)24-20(21)23-17/h4-8H,1-3H3,(H,23,24)
InChIKeyQNSXMIPORJFRHX-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.34
Rot. Bonds2

About 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile

3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile (PubChem CID 121442754) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
PubChem CID121442754
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(Cl)nc12
InChIInChI=1S/C20H15ClN4O/c1-10-4-5-13(9-22)6-15(10)16-7-14(18-11(2)25-26-12(18)3)8-17-19(16)24-20(21)23-17/h4-8H,1-3H3,(H,23,24)
InChIKeyQNSXMIPORJFRHX-UHFFFAOYSA-N
XLogP5.34
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(oxan-4-ylamino)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
CID 121293059
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-sulfanylidene-1,3-dihydroindol-4-yl]-4-methylbenzonitrile
CID 147405084
4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethyl-1H-benzimidazol-2-amine
CID 121293110
4-[2-butan-2-yl-7-(4-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 144744363
CID 159367437
CID 159367437
3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole
CID 121434478
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
CID 155187782
3,5-dimethyl-4-[2-methyl-7-(3-methyl-1,2-thiazol-4-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;methane
CID 159721268
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-yl-1H-benzimidazol-4-yl]-4-methylbenzamide
CID 121292986
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile
CID 131893995
4-[7-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;methane
CID 159241514
methane;4-[7-(4-methoxy-3-pyridinyl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158678498

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile?
The IUPAC name of 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile (CID 121442754) is 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile.
What is the SMILES notation for 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile?
The canonical SMILES for 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile is Cc1ccc(C#N)cc1-c1cc(-c2c(C)noc2C)cc2[nH]c(Cl)nc12.
What is the InChIKey of 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile?
The InChIKey is QNSXMIPORJFRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-10-4-5-13(9-22)6-15(10)16-7-14(18-11(2)25-26-12(18)3)8-17-19(16)24-20(21)23-17/h4-8H,1-3H3,(H,23,24).
What are the key properties of 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile?
3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile has a molecular weight of 362.82 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile is sourced from PubChem (CID 121442754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).