3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide

C17H17N3O4 — CID 110721708

IUPAC3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)cc1OC
InChIInChI=1S/C17H17N3O4/c1-20-13-6-5-11(9-12(13)19-17(20)22)18-16(21)10-4-7-14(23-2)15(8-10)24-3/h4-9H,1-3H3,(H,18,21)(H,19,22)
InChIKeyNMTAHAMCLZJIBV-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.14
Rot. Bonds4

About 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide

3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide (PubChem CID 110721708) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
PubChem CID110721708
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)cc1OC
InChIInChI=1S/C17H17N3O4/c1-20-13-6-5-11(9-12(13)19-17(20)22)18-16(21)10-4-7-14(23-2)15(8-10)24-3/h4-9H,1-3H3,(H,18,21)(H,19,22)
InChIKeyNMTAHAMCLZJIBV-UHFFFAOYSA-N
XLogP2.14
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 110721736
3-acetamido-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110743522
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
N-(3,4-dimethoxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610764
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
N-[3-(1,3-dithiolan-2-yl)phenyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71885645
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide (CID 110721708) is 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
The InChIKey is NMTAHAMCLZJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-20-13-6-5-11(9-12(13)19-17(20)22)18-16(21)10-4-7-14(23-2)15(8-10)24-3/h4-9H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide?
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide has a molecular weight of 327.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 110721708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).