1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide

C18H17F2N3O3 — CID 3448788

IUPAC1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
SMILESCOC(CNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1)OC
InChIInChI=1S/C18H17F2N3O3/c1-25-17(26-2)9-21-18(24)11-3-6-16-15(7-11)22-10-23(16)12-4-5-13(19)14(20)8-12/h3-8,10,17H,9H2,1-2H3,(H,21,24)
InChIKeyJAAOUOOYFRDOOE-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.65
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide

1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide (PubChem CID 3448788) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
PubChem CID3448788
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
SMILESCOC(CNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1)OC
InChIInChI=1S/C18H17F2N3O3/c1-25-17(26-2)9-21-18(24)11-3-6-16-15(7-11)22-10-23(16)12-4-5-13(19)14(20)8-12/h3-8,10,17H,9H2,1-2H3,(H,21,24)
InChIKeyJAAOUOOYFRDOOE-UHFFFAOYSA-N
XLogP2.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
CID 4087961
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
1-(3,4-difluorophenyl)benzimidazole-5-carboxylate
CID 3520017
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
1-[3-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 11340536
N-(2,2-dimethoxyethyl)-4-fluoro-3-nitrobenzamide
CID 61249664
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]-2,2,2-trideuterioethanone
CID 52911485
1-(3-cyano-4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 62315454
methyl 1-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzimidazole-5-carboxylate
CID 154636374
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide (CID 3448788) is 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide is COC(CNC(=O)c1ccc2c(c1)ncn2-c1ccc(F)c(F)c1)OC.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
The InChIKey is JAAOUOOYFRDOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-25-17(26-2)9-21-18(24)11-3-6-16-15(7-11)22-10-23(16)12-4-5-13(19)14(20)8-12/h3-8,10,17H,9H2,1-2H3,(H,21,24).
What are the key properties of 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3448788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).