2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide

C14H15N5O — CID 104719136

IUPAC2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C14H15N5O/c1-8(13(20)17-10-5-6-10)19-11-4-2-3-9(7-15)12(11)18-14(19)16/h2-4,8,10H,5-6H2,1H3,(H2,16,18)(H,17,20)
InChIKeyQXYZDTGFIFOYCO-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.33
Rot. Bonds3

About 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide

2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide (PubChem CID 104719136) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide
PubChem CID104719136
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C14H15N5O/c1-8(13(20)17-10-5-6-10)19-11-4-2-3-9(7-15)12(11)18-14(19)16/h2-4,8,10H,5-6H2,1H3,(H2,16,18)(H,17,20)
InChIKeyQXYZDTGFIFOYCO-UHFFFAOYSA-N
XLogP1.33
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide
CID 104718812
2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile
CID 104718624
2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 54950785
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
CID 104718653
2-amino-1-(2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104718975
ethyl 2-[2-(chloromethyl)-4-cyanobenzimidazol-1-yl]propanoate
CID 104719511
2-(1-chloroethyl)-1-propan-2-ylbenzimidazole-4-carbonitrile
CID 104719167
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 56795462
2-(3-cyano-2-nitroanilino)-N-cyclopropylpropanamide
CID 104718036
2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide (CID 104719136) is 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide?
The InChIKey is QXYZDTGFIFOYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8(13(20)17-10-5-6-10)19-11-4-2-3-9(7-15)12(11)18-14(19)16/h2-4,8,10H,5-6H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide?
2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide has a molecular weight of 269.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 104719136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).