2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide

C15H12FN3O — CID 110772459

IUPAC2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc2nc[nH]c2c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-11-2-4-12(5-3-11)19-15(20)8-10-1-6-13-14(7-10)18-9-17-13/h1-7,9H,8H2,(H,17,18)(H,19,20)
InChIKeyDDRVXLPUSQXAHI-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.88
Rot. Bonds3

About 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide

2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 110772459) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
PubChem CID110772459
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc2nc[nH]c2c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-11-2-4-12(5-3-11)19-15(20)8-10-1-6-13-14(7-10)18-9-17-13/h1-7,9H,8H2,(H,17,18)(H,19,20)
InChIKeyDDRVXLPUSQXAHI-UHFFFAOYSA-N
XLogP2.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3H-benzimidazol-5-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110772495
2-(3H-benzimidazol-5-yl)-N-[4-(diethylamino)phenyl]acetamide
CID 110772496
2-(3H-benzimidazol-5-yl)-N-[4-[(2-fluorophenyl)methoxy]phenyl]acetamide
CID 46951689
2-(3H-benzimidazol-5-yl)acetic acid;hydrochloride
CID 3046610
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
methyl 2-[3-[[2-(3H-benzimidazol-5-yl)acetyl]amino]phenoxy]acetate
CID 166393940
2-(3H-benzimidazol-5-yl)-N-(2-methoxyphenyl)acetamide
CID 110772471
3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 53131365
1-(3H-benzimidazol-5-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 25062914
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990
N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide
CID 108814811
2-(3H-benzimidazol-5-yl)-N-[2-(2-ethoxyphenyl)phenyl]acetamide
CID 175661419

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide (CID 110772459) is 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide is O=C(Cc1ccc2nc[nH]c2c1)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is DDRVXLPUSQXAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-11-2-4-12(5-3-11)19-15(20)8-10-1-6-13-14(7-10)18-9-17-13/h1-7,9H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide?
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 269.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110772459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).