N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide

C18H16N4O — CID 110772803

IUPACN-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
SMILESCCc1nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2[nH]1
InChIInChI=1S/C18H16N4O/c1-2-17-21-15-8-5-13(9-16(15)22-17)10-18(23)20-14-6-3-12(11-19)4-7-14/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyHUOOHGHIGFRFAQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.18
Rot. Bonds4

About N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide

N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 110772803) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
PubChem CID110772803
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
SMILESCCc1nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2[nH]1
InChIInChI=1S/C18H16N4O/c1-2-17-21-15-8-5-13(9-16(15)22-17)10-18(23)20-14-6-3-12(11-19)4-7-14/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyHUOOHGHIGFRFAQ-UHFFFAOYSA-N
XLogP3.18
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765
4-[[2-(2-ethyl-3H-benzimidazol-5-yl)acetyl]amino]benzamide
CID 110772780
N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772778
N-(3-acetylphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772781
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
N-(4-cyanophenyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772225
2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110772732
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
N-(2-ethyl-3H-benzimidazol-5-yl)-2-(1H-indol-3-yl)acetamide
CID 110793188
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
CID 124703638

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide (CID 110772803) is N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide is CCc1nc2ccc(CC(=O)Nc3ccc(C#N)cc3)cc2[nH]1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is HUOOHGHIGFRFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-17-21-15-8-5-13(9-16(15)22-17)10-18(23)20-14-6-3-12(11-19)4-7-14/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).