N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide

C19H21N3O3 — CID 3574227

IUPACN-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3/c1-13-21-17-12-14(19(23)20-10-11-24-2)4-9-18(17)22(13)15-5-7-16(25-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyLCZRRLSMMGDYOV-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.72
Rot. Bonds6

About N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide

N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide (PubChem CID 3574227) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
PubChem CID3574227
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(OC)cc1
InChIInChI=1S/C19H21N3O3/c1-13-21-17-12-14(19(23)20-10-11-24-2)4-9-18(17)22(13)15-5-7-16(25-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyLCZRRLSMMGDYOV-UHFFFAOYSA-N
XLogP2.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 4103678
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 56524502
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5059602
N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
CID 58284883
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
2-(cyanomethylsulfanyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 46362039
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide
CID 46284287
(3R)-N-(2-methoxyethyl)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 92752194

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide (CID 3574227) is N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide is COCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(OC)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide?
The InChIKey is LCZRRLSMMGDYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-21-17-12-14(19(23)20-10-11-24-2)4-9-18(17)22(13)15-5-7-16(25-3)8-6-15/h4-9,12H,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide?
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3574227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).