4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole

C16H14F2N2O — CID 115911975

IUPAC4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cccc(-c2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C16H14F2N2O/c1-2-8-21-11-5-3-4-10(9-11)16-19-13-7-6-12(17)14(18)15(13)20-16/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyVRZBMSQGASGEQR-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.30
Rot. Bonds4

About 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole

4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole (PubChem CID 115911975) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
PubChem CID115911975
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cccc(-c2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C16H14F2N2O/c1-2-8-21-11-5-3-4-10(9-11)16-19-13-7-6-12(17)14(18)15(13)20-16/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyVRZBMSQGASGEQR-UHFFFAOYSA-N
XLogP4.30
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dichloro-2-(3-propoxyphenyl)-1H-benzimidazole
CID 82005589
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
1,2-difluoro-3-[2-(3-propoxyphenyl)phenyl]benzene
CID 67797974
N,N-dimethyl-2-[3-(4-methyl-1H-benzimidazol-2-yl)phenoxy]ethanamine
CID 59784797
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
CID 112556560
3-[(4,5-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 115911848
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
2-(3-propoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154898950
4,5-diamino-2-(3-hexoxyphenyl)-1H-pyrimidin-6-one
CID 152771806

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole?
The IUPAC name of 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole (CID 115911975) is 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole is CCCOc1cccc(-c2nc3c(F)c(F)ccc3[nH]2)c1.
What is the InChIKey of 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole?
The InChIKey is VRZBMSQGASGEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-2-8-21-11-5-3-4-10(9-11)16-19-13-7-6-12(17)14(18)15(13)20-16/h3-7,9H,2,8H2,1H3,(H,19,20).
What are the key properties of 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole?
4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole has a molecular weight of 288.30 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(3-propoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 115911975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).