N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide

C18H13N3O3 — CID 110743882

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2[nH]1
InChIInChI=1S/C18H13N3O3/c1-10-19-14-7-6-12(9-15(14)20-10)21-17(22)13-8-11-4-2-3-5-16(11)24-18(13)23/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyHVPJBGFWUSWBEK-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.23
Rot. Bonds2

About N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide

N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide (PubChem CID 110743882) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
PubChem CID110743882
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2[nH]1
InChIInChI=1S/C18H13N3O3/c1-10-19-14-7-6-12(9-15(14)20-10)21-17(22)13-8-11-4-2-3-5-16(11)24-18(13)23/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyHVPJBGFWUSWBEK-UHFFFAOYSA-N
XLogP3.23
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-oxochromene-3-carboxamide
CID 20930875
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3632936
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-7-carboxamide
CID 112523785
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide (CID 110743882) is N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide is Cc1nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide?
The InChIKey is HVPJBGFWUSWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-10-19-14-7-6-12(9-15(14)20-10)21-17(22)13-8-11-4-2-3-5-16(11)24-18(13)23/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide?
N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110743882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).