N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide

C19H18N4O — CID 39148036

IUPACN-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
SMILESCCCc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N4O/c1-2-6-18-22-16-9-3-4-10-17(16)23(18)13-19(24)21-15-8-5-7-14(11-15)12-20/h3-5,7-11H,2,6,13H2,1H3,(H,21,24)
InChIKeyKCIZBDGZZZXBPV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.50
Rot. Bonds5

About N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide

N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide (PubChem CID 39148036) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
PubChem CID39148036
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
SMILESCCCc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N4O/c1-2-6-18-22-16-9-3-4-10-17(16)23(18)13-19(24)21-15-8-5-7-14(11-15)12-20/h3-5,7-11H,2,6,13H2,1H3,(H,21,24)
InChIKeyKCIZBDGZZZXBPV-UHFFFAOYSA-N
XLogP3.50
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetamide
CID 39157829
N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide
CID 4784969
3-[(2-propylbenzimidazol-1-yl)methyl]benzonitrile
CID 39148040
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
CID 39148056
N-[2-[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030281
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
3-[(1-ethylbenzimidazol-2-yl)methylamino]benzonitrile
CID 61020625
2-[3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanyl-N-(3-cyanophenyl)acetamide
CID 23790391
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
(2S)-N-(3-cyanophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224544

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide (CID 39148036) is N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide is CCCc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide?
The InChIKey is KCIZBDGZZZXBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-6-18-22-16-9-3-4-10-17(16)23(18)13-19(24)21-15-8-5-7-14(11-15)12-20/h3-5,7-11H,2,6,13H2,1H3,(H,21,24).
What are the key properties of N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide?
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide has a molecular weight of 318.38 g/mol, XLogP of 3.50, 5 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-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 39148036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).