3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one

C14H10ClFN2O — CID 117209019

IUPAC3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10ClFN2O/c15-10-4-1-3-9(7-10)8-18-13-11(16)5-2-6-12(13)17-14(18)19/h1-7H,8H2,(H,17,19)
InChIKeyHMHJHRXBCZNEHE-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.17
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one

3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one (PubChem CID 117209019) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
PubChem CID117209019
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(F)c2n1Cc1cccc(Cl)c1
InChIInChI=1S/C14H10ClFN2O/c15-10-4-1-3-9(7-10)8-18-13-11(16)5-2-6-12(13)17-14(18)19/h1-7H,8H2,(H,17,19)
InChIKeyHMHJHRXBCZNEHE-UHFFFAOYSA-N
XLogP3.17
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117209050
7-chloro-3-[(3-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117206660
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
1-[(3-chlorophenyl)methyl]-8-fluoro-3-methoxy-4-phenylquinolin-2-one
CID 142438240
3-[(4-hydroxyphenyl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209076
3-[(3-bromophenyl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931543
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
8-amino-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 66485201

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one (CID 117209019) is 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one is O=c1[nH]c2cccc(F)c2n1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one?
The InChIKey is HMHJHRXBCZNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-10-4-1-3-9(7-10)8-18-13-11(16)5-2-6-12(13)17-14(18)19/h1-7H,8H2,(H,17,19).
What are the key properties of 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one?
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one has a molecular weight of 276.70 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one is sourced from PubChem (CID 117209019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).