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

C13H16N4O — CID 113477805

IUPAC2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
SMILESCCOC(C)Cn1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C13H16N4O/c1-3-18-9(2)8-17-12-6-10(7-14)4-5-11(12)16-13(17)15/h4-6,9H,3,8H2,1-2H3,(H2,15,16)
InChIKeyZRTWWCJOIVUSCQ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.92
Rot. Bonds4

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

2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile (PubChem CID 113477805) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
PubChem CID113477805
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
SMILESCCOC(C)Cn1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C13H16N4O/c1-3-18-9(2)8-17-12-6-10(7-14)4-5-11(12)16-13(17)15/h4-6,9H,3,8H2,1-2H3,(H2,15,16)
InChIKeyZRTWWCJOIVUSCQ-UHFFFAOYSA-N
XLogP1.92
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile
CID 113444535
2-(1-chloroethyl)-3-(2-methoxypropyl)benzimidazole-5-carbonitrile
CID 102699466
methyl 3-(2-amino-6-cyanobenzimidazol-1-yl)propanoate
CID 104714869
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
2-amino-3-hexan-2-ylbenzimidazole-5-carbonitrile
CID 104714994
2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
CID 104714921
2-(1-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715265
2-amino-3-[(3,4-difluorophenyl)methyl]benzimidazole-5-carbonitrile
CID 104714940
2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile
CID 104714989
2-amino-3-[2-(2-methylphenyl)ethyl]benzimidazole-5-carbonitrile
CID 104715124

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile (CID 113477805) is 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile is CCOC(C)Cn1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile?
The InChIKey is ZRTWWCJOIVUSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-18-9(2)8-17-12-6-10(7-14)4-5-11(12)16-13(17)15/h4-6,9H,3,8H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile?
2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 113477805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).