N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide

C14H17N3O4S — CID 118782033

IUPACN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccc2nc(CNC(=O)C3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C14H17N3O4S/c1-21-10-2-3-11-12(6-10)17-13(16-11)7-15-14(18)9-4-5-22(19,20)8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyFIUFABIQQFGJCK-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.62
Rot. Bonds4

About N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 118782033) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID118782033
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCOc1ccc2nc(CNC(=O)C3CCS(=O)(=O)C3)[nH]c2c1
InChIInChI=1S/C14H17N3O4S/c1-21-10-2-3-11-12(6-10)17-13(16-11)7-15-14(18)9-4-5-22(19,20)8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyFIUFABIQQFGJCK-UHFFFAOYSA-N
XLogP0.62
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
(3S)-1-(cyclohexylmethyl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098252
(3R,6S)-6-amino-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-(oxan-4-yl)azepane-3-carboxamide;dihydrochloride
CID 166598145
(3S)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95193019
2-[(1,1-dioxothiolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411151
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70738211
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propanamide
CID 77083004
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131915305
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
N-[(2-methoxy-3-pyridinyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 47160065
cis-(1R,3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 118769244

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide (CID 118782033) is N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide is COc1ccc2nc(CNC(=O)C3CCS(=O)(=O)C3)[nH]c2c1.
What is the InChIKey of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is FIUFABIQQFGJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-21-10-2-3-11-12(6-10)17-13(16-11)7-15-14(18)9-4-5-22(19,20)8-9/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 118782033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).