2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

C18H20N4O3 — CID 18155594

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccnc(OC)c2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-3-21-14-6-4-5-7-15(14)22(18(21)24)12-16(23)20-11-13-8-9-19-17(10-13)25-2/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyGXVAUHHFTPXQKW-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.54
Rot. Bonds6

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (PubChem CID 18155594) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
PubChem CID18155594
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
SMILESCCn1c(=O)n(CC(=O)NCc2ccnc(OC)c2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-3-21-14-6-4-5-7-15(14)22(18(21)24)12-16(23)20-11-13-8-9-19-17(10-13)25-2/h4-10H,3,11-12H2,1-2H3,(H,20,23)
InChIKeyGXVAUHHFTPXQKW-UHFFFAOYSA-N
XLogP1.54
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 24647639
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 62989300
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperazin-1-ylacetamide
CID 62995583
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 18121535
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 18121427

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide (CID 18155594) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is CCn1c(=O)n(CC(=O)NCc2ccnc(OC)c2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
The InChIKey is GXVAUHHFTPXQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-21-14-6-4-5-7-15(14)22(18(21)24)12-16(23)20-11-13-8-9-19-17(10-13)25-2/h4-10H,3,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 18155594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).