1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide

C18H18FN3O2 — CID 3244293

IUPAC1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-12-21-16-10-13(18(23)20-8-9-24-2)6-7-17(16)22(12)15-5-3-4-14(19)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyMLOKLVGOIXEILT-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.85
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide

1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide (PubChem CID 3244293) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
PubChem CID3244293
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-12-21-16-10-13(18(23)20-8-9-24-2)6-7-17(16)22(12)15-5-3-4-14(19)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)
InChIKeyMLOKLVGOIXEILT-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
CID 58284883
3-(3-fluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide
CID 46361893
N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 3655846
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
3-(3-fluorophenyl)-N-(2-methoxyethyl)-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide
CID 46361900
2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide
CID 46361889
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
(3R)-N-(2-methoxyethyl)-3-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 92752194
N-heptyl-2-methyl-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5059602
N-(2-methoxyethyl)-4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 46277332

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide (CID 3244293) is 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide is COCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide?
The InChIKey is MLOKLVGOIXEILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-21-16-10-13(18(23)20-8-9-24-2)6-7-17(16)22(12)15-5-3-4-14(19)11-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide?
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3244293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).