1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile

C19H16N6 — CID 67607206

IUPAC1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile
SMILESCCn1cnc2cc(C#N)ccc21.Cn1cnc2cc(C#N)ccc21
InChIInChI=1S/C10H9N3.C9H7N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13;1-12-6-11-8-4-7(5-10)2-3-9(8)12/h3-5,7H,2H2,1H3;2-4,6H,1H3
InChIKeyOQGQWCVUTRHRMZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.37
Rot. Bonds1

About 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile

1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile (PubChem CID 67607206) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile
PubChem CID67607206
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile
SMILESCCn1cnc2cc(C#N)ccc21.Cn1cnc2cc(C#N)ccc21
InChIInChI=1S/C10H9N3.C9H7N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13;1-12-6-11-8-4-7(5-10)2-3-9(8)12/h3-5,7H,2H2,1H3;2-4,6H,1H3
InChIKeyOQGQWCVUTRHRMZ-UHFFFAOYSA-N
XLogP3.37
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile 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

NS-2710
CID 9863520
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756
1-Benzyl-1H-benzimidazole
CID 563347
1-Benzyl-2-phenylbenzimidazole
CID 1221687
N-[(1-benzylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 1043331
1-Benzyl-2-methylbenzimidazole
CID 759305
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole
CID 755572
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
CID 11408635
1-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydro-1H-pyrrolo[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile
CID 3159270

Frequently Asked Questions

What is the IUPAC name of 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile (CID 67607206) is 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile is CCn1cnc2cc(C#N)ccc21.Cn1cnc2cc(C#N)ccc21.
What is the InChIKey of 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile?
The InChIKey is OQGQWCVUTRHRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.C9H7N3/c1-2-13-7-12-9-5-8(6-11)3-4-10(9)13;1-12-6-11-8-4-7(5-10)2-3-9(8)12/h3-5,7H,2H2,1H3;2-4,6H,1H3.
What are the key properties of 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile?
1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile has a molecular weight of 328.38 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylbenzimidazole-5-carbonitrile;1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 67607206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).