2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide

C21H18N4O2 — CID 166828786

IUPAC2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1cccc(Cn2c(=O)[nH]c3ccccc32)c1)Nc1cccnc1
InChIInChI=1S/C21H18N4O2/c26-20(23-17-7-4-10-22-13-17)12-15-5-3-6-16(11-15)14-25-19-9-2-1-8-18(19)24-21(25)27/h1-11,13H,12,14H2,(H,23,26)(H,24,27)
InChIKeyBQYAVIPPRBLNEH-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.95
Rot. Bonds5

About 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide

2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide (PubChem CID 166828786) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide
PubChem CID166828786
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1cccc(Cn2c(=O)[nH]c3ccccc32)c1)Nc1cccnc1
InChIInChI=1S/C21H18N4O2/c26-20(23-17-7-4-10-22-13-17)12-15-5-3-6-16(11-15)14-25-19-9-2-1-8-18(19)24-21(25)27/h1-11,13H,12,14H2,(H,23,26)(H,24,27)
InChIKeyBQYAVIPPRBLNEH-UHFFFAOYSA-N
XLogP2.95
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
CID 166828607
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
2-(2-oxo-1,3-benzothiazol-3-yl)-N-pyridin-3-ylacetamide
CID 22423087
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
CID 31245066
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 4911387
2-[2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-pyridin-3-ylacetamide
CID 136616517
3-[(3,4-dichlorophenyl)methyl]-1H-benzimidazol-2-one;ethyl propanoate
CID 70551057
3-[[3-iodo-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1H-benzimidazol-2-one
CID 166828737

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide (CID 166828786) is 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide is O=C(Cc1cccc(Cn2c(=O)[nH]c3ccccc32)c1)Nc1cccnc1.
What is the InChIKey of 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide?
The InChIKey is BQYAVIPPRBLNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-20(23-17-7-4-10-22-13-17)12-15-5-3-6-16(11-15)14-25-19-9-2-1-8-18(19)24-21(25)27/h1-11,13H,12,14H2,(H,23,26)(H,24,27).
What are the key properties of 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide?
2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide has a molecular weight of 358.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 166828786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).