N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide

C18H18FN3O — CID 60534062

IUPACN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C18H18FN3O/c1-3-11(2)18(23)20-14-7-8-15-16(10-14)22-17(21-15)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGNJAWOCQKPCVLL-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.35
Rot. Bonds4

About N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide

N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide (PubChem CID 60534062) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
PubChem CID60534062
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C18H18FN3O/c1-3-11(2)18(23)20-14-7-8-15-16(10-14)22-17(21-15)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyGNJAWOCQKPCVLL-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide?
The IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide (CID 60534062) is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide?
The InChIKey is GNJAWOCQKPCVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-3-11(2)18(23)20-14-7-8-15-16(10-14)22-17(21-15)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide?
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide has a molecular weight of 311.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide is sourced from PubChem (CID 60534062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).