2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide

C21H23Cl2FN4O — CID 76831069

IUPAC2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide
SMILESCCCCC(C)NC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)n(C)c2cc1F
InChIInChI=1S/C21H23Cl2FN4O/c1-4-5-7-12(2)25-20(29)13-10-17-18(11-16(13)24)28(3)21(26-17)27-19-14(22)8-6-9-15(19)23/h6,8-12H,4-5,7H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyOSRCLCWHYHRQIB-UHFFFAOYSA-N
MW437.35 g/mol
LogP6.07
Rot. Bonds7

About 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide (PubChem CID 76831069) has the molecular formula C21H23Cl2FN4O and a molecular weight of 437.35 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide
PubChem CID76831069
Molecular FormulaC21H23Cl2FN4O
Molecular Weight437.35 g/mol
Exact Mass436.12
IUPAC Name2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide
SMILESCCCCC(C)NC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)n(C)c2cc1F
InChIInChI=1S/C21H23Cl2FN4O/c1-4-5-7-12(2)25-20(29)13-10-17-18(11-16(13)24)28(3)21(26-17)27-19-14(22)8-6-9-15(19)23/h6,8-12H,4-5,7H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyOSRCLCWHYHRQIB-UHFFFAOYSA-N
XLogP6.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.35
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 58562175
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-N-(3,3-difluorocyclobutyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 56840615
CID 88573287
CID 88573287
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
CID 58562143
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide (CID 76831069) is 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide is CCCCC(C)NC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)n(C)c2cc1F.
What is the InChIKey of 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide?
The InChIKey is OSRCLCWHYHRQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2FN4O/c1-4-5-7-12(2)25-20(29)13-10-17-18(11-16(13)24)28(3)21(26-17)27-19-14(22)8-6-9-15(19)23/h6,8-12H,4-5,7H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide has a molecular weight of 437.35 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-6-fluoro-N-hexan-2-yl-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 76831069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).