N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide

C25H21N5O2 — CID 78839255

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H21N5O2/c31-23-15-28-30(22-9-5-4-8-19(22)23)13-12-24(32)29-25(17-6-2-1-3-7-17)18-10-11-20-21(14-18)27-16-26-20/h1-11,14-16,25H,12-13H2,(H,26,27)(H,29,32)
InChIKeyLBKOCERKWILSLV-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.57
Rot. Bonds6

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide (PubChem CID 78839255) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide
PubChem CID78839255
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide
SMILESO=C(CCn1ncc(=O)c2ccccc21)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H21N5O2/c31-23-15-28-30(22-9-5-4-8-19(22)23)13-12-24(32)29-25(17-6-2-1-3-7-17)18-10-11-20-21(14-18)27-16-26-20/h1-11,14-16,25H,12-13H2,(H,26,27)(H,29,32)
InChIKeyLBKOCERKWILSLV-UHFFFAOYSA-N
XLogP3.57
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-(1,2-diphenylethyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254964
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
N-(3-methyl-1-phenylbutyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 42896905
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 55795556
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51926199
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119840634

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide (CID 78839255) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide is O=C(CCn1ncc(=O)c2ccccc21)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide?
The InChIKey is LBKOCERKWILSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c31-23-15-28-30(22-9-5-4-8-19(22)23)13-12-24(32)29-25(17-6-2-1-3-7-17)18-10-11-20-21(14-18)27-16-26-20/h1-11,14-16,25H,12-13H2,(H,26,27)(H,29,32).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide has a molecular weight of 423.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide is sourced from PubChem (CID 78839255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).