2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide

C18H17N5O — CID 60563007

IUPAC2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
SMILESCCn1c(NC(=O)CNc2ccc(C#N)cc2)nc2ccccc21
InChIInChI=1S/C18H17N5O/c1-2-23-16-6-4-3-5-15(16)21-18(23)22-17(24)12-20-14-9-7-13(11-19)8-10-14/h3-10,20H,2,12H2,1H3,(H,21,22,24)
InChIKeyDMOJLWBGERHLHI-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide

2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide (PubChem CID 60563007) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
PubChem CID60563007
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide
SMILESCCn1c(NC(=O)CNc2ccc(C#N)cc2)nc2ccccc21
InChIInChI=1S/C18H17N5O/c1-2-23-16-6-4-3-5-15(16)21-18(23)22-17(24)12-20-14-9-7-13(11-19)8-10-14/h3-10,20H,2,12H2,1H3,(H,21,22,24)
InChIKeyDMOJLWBGERHLHI-UHFFFAOYSA-N
XLogP2.98
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-ethylbenzimidazol-2-yl)acetamide
CID 167779974
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530
N-[5-(anilinomethyl)-1-ethylbenzimidazol-2-yl]-4-cyanobenzamide
CID 142860950
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
N-(1-benzylbenzimidazol-2-yl)-4-cyanobenzamide
CID 35279688
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
CID 167887433
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide (CID 60563007) is 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide is CCn1c(NC(=O)CNc2ccc(C#N)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide?
The InChIKey is DMOJLWBGERHLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-23-16-6-4-3-5-15(16)21-18(23)22-17(24)12-20-14-9-7-13(11-19)8-10-14/h3-10,20H,2,12H2,1H3,(H,21,22,24).
What are the key properties of 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide?
2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide has a molecular weight of 319.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(1-ethylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 60563007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).