2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol

C16H16FN3O — CID 752886

IUPAC2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol
SMILES[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H16FN3O/c17-13-6-2-1-5-12(13)11-20-15-8-4-3-7-14(15)19(9-10-21)16(20)18/h1-8,18,21H,9-11H2/b18-16+
InChIKeyKVVROGCXGONDIA-FBMGVBCBSA-N
MW285.32 g/mol
LogP2.10
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol

2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol (PubChem CID 752886) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol
PubChem CID752886
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol
SMILES[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H16FN3O/c17-13-6-2-1-5-12(13)11-20-15-8-4-3-7-14(15)19(9-10-21)16(20)18/h1-8,18,21H,9-11H2/b18-16+
InChIKeyKVVROGCXGONDIA-FBMGVBCBSA-N
XLogP2.10
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2932270
1-[(2-fluorophenyl)methyl]-3-(2-naphthalen-2-yloxyethyl)benzimidazol-2-imine;hydrobromide
CID 163326365
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine
CID 17272639
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2979174
3-benzyl-2-iminobenzimidazole-1-carboxylic acid
CID 22930573
2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(4-phenylphenyl)ethanone
CID 3124402
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
CID 118052875
1-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3-propylbenzimidazol-2-imine
CID 70881475
2-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 52997623

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol (CID 752886) is 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol is [H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol?
The InChIKey is KVVROGCXGONDIA-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-6-2-1-5-12(13)11-20-15-8-4-3-7-14(15)19(9-10-21)16(20)18/h1-8,18,21H,9-11H2/b18-16+.
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol?
2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol has a molecular weight of 285.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol is sourced from PubChem (CID 752886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).