N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide

C18H18FN3O — CID 4779807

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-11(2)16(17-20-14-9-5-6-10-15(14)21-17)22-18(23)12-7-3-4-8-13(12)19/h3-11,16H,1-2H3,(H,20,21)(H,22,23)
InChIKeyNBZPLODTPXPWMJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide (PubChem CID 4779807) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
PubChem CID4779807
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
SMILESCC(C)C(NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-11(2)16(17-20-14-9-5-6-10-15(14)21-17)22-18(23)12-7-3-4-8-13(12)19/h3-11,16H,1-2H3,(H,20,21)(H,22,23)
InChIKeyNBZPLODTPXPWMJ-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304
N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976349
5-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbenzamide;dihydrochloride
CID 120643289
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-propan-2-ylindole-4-carboxamide
CID 86207604
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-2-fluorobenzamide
CID 17458136
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide (CID 4779807) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide is CC(C)C(NC(=O)c1ccccc1F)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide?
The InChIKey is NBZPLODTPXPWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-11(2)16(17-20-14-9-5-6-10-15(14)21-17)22-18(23)12-7-3-4-8-13(12)19/h3-11,16H,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide has a molecular weight of 311.36 g/mol, XLogP of 3.83, 4 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-methylpropyl]-2-fluorobenzamide is sourced from PubChem (CID 4779807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).