2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide

C21H16N4O2 — CID 69264751

IUPAC2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(C#N)c32)cc2ccccc12
InChIInChI=1S/C21H16N4O2/c1-27-19-10-16(9-14-5-2-3-7-17(14)19)24-20(26)12-25-13-23-18-8-4-6-15(11-22)21(18)25/h2-10,13H,12H2,1H3,(H,24,26)
InChIKeyFKODFHWQFVCQKW-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.71
Rot. Bonds4

About 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide

2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide (PubChem CID 69264751) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide
PubChem CID69264751
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(C#N)c32)cc2ccccc12
InChIInChI=1S/C21H16N4O2/c1-27-19-10-16(9-14-5-2-3-7-17(14)19)24-20(26)12-25-13-23-18-8-4-6-15(11-22)21(18)25/h2-10,13H,12H2,1H3,(H,24,26)
InChIKeyFKODFHWQFVCQKW-UHFFFAOYSA-N
XLogP3.71
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide
CID 11544556
2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5048859
2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 11440680
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide
CID 11588709
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46426810
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 10070201
N-[[4-(2-aminopropan-2-yl)-3-fluorophenyl]methyl]-2-(7-cyanobenzimidazol-1-yl)acetamide
CID 71125104
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide?
The IUPAC name of 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide (CID 69264751) is 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide?
The canonical SMILES for 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide is COc1cc(NC(=O)Cn2cnc3cccc(C#N)c32)cc2ccccc12.
What is the InChIKey of 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide?
The InChIKey is FKODFHWQFVCQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-27-19-10-16(9-14-5-2-3-7-17(14)19)24-20(26)12-25-13-23-18-8-4-6-15(11-22)21(18)25/h2-10,13H,12H2,1H3,(H,24,26).
What are the key properties of 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide?
2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide is sourced from PubChem (CID 69264751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).