N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide

C20H20N4O — CID 39157829

IUPACN-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2cc(C)c(C)cc2n1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H20N4O/c1-4-19-23-17-8-13(2)14(3)9-18(17)24(19)12-20(25)22-16-7-5-6-15(10-16)11-21/h5-10H,4,12H2,1-3H3,(H,22,25)
InChIKeyUDJYOBOCIQXDRC-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.73
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide

N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide (PubChem CID 39157829) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide
PubChem CID39157829
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2cc(C)c(C)cc2n1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H20N4O/c1-4-19-23-17-8-13(2)14(3)9-18(17)24(19)12-20(25)22-16-7-5-6-15(10-16)11-21/h5-10H,4,12H2,1-3H3,(H,22,25)
InChIKeyUDJYOBOCIQXDRC-UHFFFAOYSA-N
XLogP3.73
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide 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

N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
N-(3-cyanophenyl)-2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetamide
CID 39158170
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 33227721
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
2-[3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanyl-N-(3-cyanophenyl)acetamide
CID 23790391
N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324557
N-(2,6-dimethylphenyl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028552
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide
CID 4784969

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide (CID 39157829) is N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide is CCc1nc2cc(C)c(C)cc2n1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide?
The InChIKey is UDJYOBOCIQXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-4-19-23-17-8-13(2)14(3)9-18(17)24(19)12-20(25)22-16-7-5-6-15(10-16)11-21/h5-10H,4,12H2,1-3H3,(H,22,25).
What are the key properties of N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide?
N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 39157829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).