N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C21H18N4O2 — CID 86844755

IUPACN-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)/N=c3\ccccn3Cc3ccccc3)ccc21
InChIInChI=1S/C21H18N4O2/c1-24-18-11-10-16(13-17(18)22-21(24)27)20(26)23-19-9-5-6-12-25(19)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,27)/b23-19+
InChIKeyWHRDNELGHQDAEB-FCDQGJHFSA-N
MW358.40 g/mol
LogP2.46
Rot. Bonds3

About N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 86844755) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID86844755
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)/N=c3\ccccn3Cc3ccccc3)ccc21
InChIInChI=1S/C21H18N4O2/c1-24-18-11-10-16(13-17(18)22-21(24)27)20(26)23-19-9-5-6-12-25(19)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,27)/b23-19+
InChIKeyWHRDNELGHQDAEB-FCDQGJHFSA-N
XLogP2.46
TPSA72.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-2-pyridinylidene)-3,5-dimethylbenzamide
CID 60584634
N-(1-benzyl-2-pyridinylidene)-3-fluoro-4-methylbenzamide
CID 134012890
N-(1-benzyl-2-pyridinylidene)-4-methyl-3-nitrobenzamide
CID 60584673
N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]benzamide
CID 60605361
N-(1-benzyl-2-pyridinylidene)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058760
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
6-(2-bromoacetyl)-3-methyl-1H-benzimidazol-2-one
CID 139311717
N-(1-benzyl-2-pyridinylidene)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785417
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 111122028
N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide
CID 42947145
N-(1-benzyl-2-pyridinylidene)-4-imidazol-1-yl-3-nitrobenzamide
CID 78813527
4-methoxy-N-[1-[(4-methylphenyl)methyl]-2-pyridinylidene]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 60605986

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 86844755) is N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2cc(C(=O)/N=c3\ccccn3Cc3ccccc3)ccc21.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is WHRDNELGHQDAEB-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-24-18-11-10-16(13-17(18)22-21(24)27)20(26)23-19-9-5-6-12-25(19)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,27)/b23-19+.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 86844755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).