3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide

C19H20N4O4 — CID 11588709

IUPAC3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c12
InChIInChI=1S/C19H20N4O4/c1-20-19(25)15-5-4-6-16-18(15)23(11-21-16)10-17(24)22-12-7-13(26-2)9-14(8-12)27-3/h4-9,11H,10H2,1-3H3,(H,20,25)(H,22,24)
InChIKeySODAZOGLRWXHEZ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.05
Rot. Bonds6

About 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide

3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide (PubChem CID 11588709) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide
PubChem CID11588709
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide
SMILESCNC(=O)c1cccc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c12
InChIInChI=1S/C19H20N4O4/c1-20-19(25)15-5-4-6-16-18(15)23(11-21-16)10-17(24)22-12-7-13(26-2)9-14(8-12)27-3/h4-9,11H,10H2,1-3H3,(H,20,25)(H,22,24)
InChIKeySODAZOGLRWXHEZ-UHFFFAOYSA-N
XLogP2.05
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(7-bromobenzimidazol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 11440680
N-(3,5-dimethoxyphenyl)-2-(7-ethynylbenzimidazol-1-yl)acetamide
CID 11544556
3-[2-[3-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]benzimidazole-4-carboxylic acid
CID 69054095
2-(7-acetylbenzimidazol-1-yl)-N-[3-acetyl-5-(trifluoromethyl)phenyl]acetamide
CID 11596534
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[3,5-bis(2-ethoxyethoxy)phenyl]-2-(7-nitrobenzimidazol-1-yl)acetamide
CID 69264166
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
2-(7-cyanobenzimidazol-1-yl)-N-(4-methoxynaphthalen-2-yl)acetamide
CID 69264751
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8659494
3-cyclopropyl-N-methylbenzimidazole-4-carboxamide
CID 67433023
N-(3,5-dimethoxyphenyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821989

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide?
The IUPAC name of 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide (CID 11588709) is 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide is CNC(=O)c1cccc2ncn(CC(=O)Nc3cc(OC)cc(OC)c3)c12.
What is the InChIKey of 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide?
The InChIKey is SODAZOGLRWXHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-20-19(25)15-5-4-6-16-18(15)23(11-21-16)10-17(24)22-12-7-13(26-2)9-14(8-12)27-3/h4-9,11H,10H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide?
3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-N-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 11588709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).