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

C17H18N4O — CID 110772732

IUPAC2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCc1nc2ccc(CC(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C17H18N4O/c1-2-16-20-14-4-3-13(9-15(14)21-16)10-17(22)19-11-12-5-7-18-8-6-12/h3-9H,2,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZSLGGUDQZGJETQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.38
Rot. Bonds5

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

2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 110772732) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID110772732
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCc1nc2ccc(CC(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C17H18N4O/c1-2-16-20-14-4-3-13(9-15(14)21-16)10-17(22)19-11-12-5-7-18-8-6-12/h3-9H,2,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyZSLGGUDQZGJETQ-UHFFFAOYSA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765
N-(3-acetylphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772781
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
CID 142258214
N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772778
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738
4-[[2-(2-ethyl-3H-benzimidazol-5-yl)acetyl]amino]benzamide
CID 110772780
N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772803
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
N-ethyl-2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772768
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 110772732) is 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is CCc1nc2ccc(CC(=O)NCc3ccncc3)cc2[nH]1.
What is the InChIKey of 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZSLGGUDQZGJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-16-20-14-4-3-13(9-15(14)21-16)10-17(22)19-11-12-5-7-18-8-6-12/h3-9H,2,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 110772732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).