2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile

C16H14N4O — CID 104714819

IUPAC2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
SMILESCCOc1ccccc1-n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C16H14N4O/c1-2-21-15-6-4-3-5-13(15)20-14-9-11(10-17)7-8-12(14)19-16(20)18/h3-9H,2H2,1H3,(H2,18,19)
InChIKeyTUNZHUFEWJUIEI-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.88
Rot. Bonds3

About 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile

2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile (PubChem CID 104714819) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
PubChem CID104714819
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
SMILESCCOc1ccccc1-n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C16H14N4O/c1-2-21-15-6-4-3-5-13(15)20-14-9-11(10-17)7-8-12(14)19-16(20)18/h3-9H,2H2,1H3,(H2,18,19)
InChIKeyTUNZHUFEWJUIEI-UHFFFAOYSA-N
XLogP2.88
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.88
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-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
2-amino-3-(4-fluoro-2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714937
2-amino-3-(2-chloro-4-cyanophenyl)benzimidazole-5-carbonitrile
CID 107809125
3-(2-ethoxyphenyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322193
2-(chloromethyl)-3-(2-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104715332
3-(2-ethoxyphenyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714217
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile
CID 118938390
3-(2-aminobenzimidazol-1-yl)-4-methylbenzonitrile
CID 62104310
4-(2-aminobenzimidazol-1-yl)-3-chlorobenzonitrile
CID 107809094
2-amino-3-(4-fluoro-2-iodophenyl)benzimidazole-5-carbonitrile
CID 104715125

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile (CID 104714819) is 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile is CCOc1ccccc1-n1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile?
The InChIKey is TUNZHUFEWJUIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-21-15-6-4-3-5-13(15)20-14-9-11(10-17)7-8-12(14)19-16(20)18/h3-9H,2H2,1H3,(H2,18,19).
What are the key properties of 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile?
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).