2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide

C15H12F2N4O — CID 82068333

IUPAC2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(-c2ccc(F)c(F)c2)nc2c(N)cccc21
InChIInChI=1S/C15H12F2N4O/c16-9-5-4-8(6-10(9)17)15-20-14-11(18)2-1-3-12(14)21(15)7-13(19)22/h1-6H,7,18H2,(H2,19,22)
InChIKeyRXKTYRSUVJEKMX-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide

2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide (PubChem CID 82068333) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
PubChem CID82068333
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(-c2ccc(F)c(F)c2)nc2c(N)cccc21
InChIInChI=1S/C15H12F2N4O/c16-9-5-4-8(6-10(9)17)15-20-14-11(18)2-1-3-12(14)21(15)7-13(19)22/h1-6H,7,18H2,(H2,19,22)
InChIKeyRXKTYRSUVJEKMX-UHFFFAOYSA-N
XLogP2.05
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-amino-2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 82067899
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963
3-[4-amino-2-(4-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82068123
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
CID 82067903
2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
3-(4-amino-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82068172
1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine
CID 82068147
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide (CID 82068333) is 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide is NC(=O)Cn1c(-c2ccc(F)c(F)c2)nc2c(N)cccc21.
What is the InChIKey of 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide?
The InChIKey is RXKTYRSUVJEKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-9-5-4-8(6-10(9)17)15-20-14-11(18)2-1-3-12(14)21(15)7-13(19)22/h1-6H,7,18H2,(H2,19,22).
What are the key properties of 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide?
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide has a molecular weight of 302.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 82068333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).