N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide

C19H19ClFN3O — CID 55812514

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(F)cc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19ClFN3O/c1-3-11(2)17(18-22-15-6-4-5-7-16(15)23-18)24-19(25)13-9-8-12(21)10-14(13)20/h4-11,17H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyMJJTWTGOOJWFDT-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.87
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide (PubChem CID 55812514) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
PubChem CID55812514
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(F)cc1Cl)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H19ClFN3O/c1-3-11(2)17(18-22-15-6-4-5-7-16(15)23-18)24-19(25)13-9-8-12(21)10-14(13)20/h4-11,17H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyMJJTWTGOOJWFDT-UHFFFAOYSA-N
XLogP4.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-5-fluoro-2-methoxybenzamide
CID 55876309
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2,3-dichlorobenzamide
CID 55862922
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 55812418
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 94613930
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 25345385
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 18116440
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
CID 55862665
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-bromo-2-chlorobenzamide
CID 60509453

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide (CID 55812514) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide is CCC(C)C(NC(=O)c1ccc(F)cc1Cl)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide?
The InChIKey is MJJTWTGOOJWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c1-3-11(2)17(18-22-15-6-4-5-7-16(15)23-18)24-19(25)13-9-8-12(21)10-14(13)20/h4-11,17H,3H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide has a molecular weight of 359.83 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 55812514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).