2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile

C15H11FN4O — CID 104714937

IUPAC2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1cc(F)ccc1-n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H11FN4O/c1-21-14-7-10(16)3-5-12(14)20-13-6-9(8-17)2-4-11(13)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyLDTNUKWQPVCMCX-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.63
Rot. Bonds2

About 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile

2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile (PubChem CID 104714937) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
PubChem CID104714937
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
SMILESCOc1cc(F)ccc1-n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H11FN4O/c1-21-14-7-10(16)3-5-12(14)20-13-6-9(8-17)2-4-11(13)19-15(20)18/h2-7H,1H3,(H2,18,19)
InChIKeyLDTNUKWQPVCMCX-UHFFFAOYSA-N
XLogP2.63
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714757
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125
4-(2-amino-5-chlorobenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104849631
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
2-(2-amino-6-fluorobenzimidazol-1-yl)-5-fluorobenzonitrile
CID 82016569
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile (CID 104714937) is 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile is COc1cc(F)ccc1-n1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile?
The InChIKey is LDTNUKWQPVCMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-21-14-7-10(16)3-5-12(14)20-13-6-9(8-17)2-4-11(13)19-15(20)18/h2-7H,1H3,(H2,18,19).
What are the key properties of 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile?
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile has a molecular weight of 282.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).