6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide

C17H15Cl2FN4O2 — CID 175678814

IUPAC6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2c(F)c(Nc3ccc(Cl)cc3Cl)c(C(=O)NCCO)cc21
InChIInChI=1S/C17H15Cl2FN4O2/c1-24-8-22-16-13(24)7-10(17(26)21-4-5-25)15(14(16)20)23-12-3-2-9(18)6-11(12)19/h2-3,6-8,23,25H,4-5H2,1H3,(H,21,26)
InChIKeyBJCFSUBPMKQZET-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.48
Rot. Bonds5

About 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide

6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide (PubChem CID 175678814) has the molecular formula C17H15Cl2FN4O2 and a molecular weight of 397.24 g/mol. Its IUPAC name is 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide
PubChem CID175678814
Molecular FormulaC17H15Cl2FN4O2
Molecular Weight397.24 g/mol
Exact Mass396.06
IUPAC Name6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2c(F)c(Nc3ccc(Cl)cc3Cl)c(C(=O)NCCO)cc21
InChIInChI=1S/C17H15Cl2FN4O2/c1-24-8-22-16-13(24)7-10(17(26)21-4-5-25)15(14(16)20)23-12-3-2-9(18)6-11(12)19/h2-3,6-8,23,25H,4-5H2,1H3,(H,21,26)
InChIKeyBJCFSUBPMKQZET-UHFFFAOYSA-N
XLogP3.48
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-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

ethane;7-fluoro-6-(2-fluoro-4-methylanilino)-N-(3-hydroxypropyl)-3-methylbenzimidazole-5-carboxamide
CID 142991585
6-(4-ethynyl-2-fluoroanilino)-7-fluoro-N-(3-hydroxypropyl)-3-methylbenzimidazole-5-carboxamide
CID 58781105
N-(3,4-dihydroxybutyl)-7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methylbenzimidazole-5-carboxamide
CID 58781090
CID 142808181
CID 142808181
7-fluoro-6-(2-fluoro-4-iodoanilino)-N-[2-(2-hydroxyethoxy)propyl]-3-methylbenzimidazole-5-carboxamide
CID 58781136
7-fluoro-6-(4-iodo-2-methylanilino)-3-methylbenzimidazole-5-carbohydrazide
CID 58781096
methyl 6-(4-bromo-2-chloro-6-deuterioanilino)-7-fluoro-3-methylbenzimidazole-5-carboxylate
CID 168800764
6-(2,4-dimethylanilino)-7-fluoro-3-methyl-N-[2-(methylamino)ethoxy]benzimidazole-5-carboxamide;ethane
CID 142991641
6-(4-bromo-2-chloroanilino)-N-(cyclobutylmethoxy)-7-fluoro-3-methylbenzimidazole-5-carboxamide;2-ethyl-1,3-dioxolane
CID 143014359
6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazole-5-carbaldehyde
CID 21114207
6-(4-bromo-2-chloroanilino)-3-(4-ethoxybutyl)-7-fluoro-N-(2-hydroxyethoxy)benzimidazole-5-carboxamide
CID 89134708
methyl 6-(4-bromo-2-chloroanilino)-3-(2-chloroethyl)-7-fluorobenzimidazole-5-carboxylate
CID 69087613

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide (CID 175678814) is 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide is Cn1cnc2c(F)c(Nc3ccc(Cl)cc3Cl)c(C(=O)NCCO)cc21.
What is the InChIKey of 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide?
The InChIKey is BJCFSUBPMKQZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN4O2/c1-24-8-22-16-13(24)7-10(17(26)21-4-5-25)15(14(16)20)23-12-3-2-9(18)6-11(12)19/h2-3,6-8,23,25H,4-5H2,1H3,(H,21,26).
What are the key properties of 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide?
6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide has a molecular weight of 397.24 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichloroanilino)-7-fluoro-N-(2-hydroxyethyl)-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 175678814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).