2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile

C12H12N4 — CID 104718943

IUPAC2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
SMILESCC1CC1n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C12H12N4/c1-7-5-10(7)16-9-4-2-3-8(6-13)11(9)15-12(16)14/h2-4,7,10H,5H2,1H3,(H2,14,15)
InChIKeyQWABLAVPGZQZMU-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.07
Rot. Bonds1

About 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile

2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile (PubChem CID 104718943) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
PubChem CID104718943
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
SMILESCC1CC1n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C12H12N4/c1-7-5-10(7)16-9-4-2-3-8(6-13)11(9)15-12(16)14/h2-4,7,10H,5H2,1H3,(H2,14,15)
InChIKeyQWABLAVPGZQZMU-UHFFFAOYSA-N
XLogP2.07
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104718975
2-amino-1-(3-ethyl-2-methylcyclopentyl)benzimidazole-4-carbonitrile
CID 104719031
2-(1-chloroethyl)-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile
CID 104719632
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
CID 104718653
2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-amino-1-(1-methylpiperidin-3-yl)benzimidazole-4-carbonitrile
CID 104718799
2-amino-1-(2,3-dihydro-1-benzofuran-3-yl)benzimidazole-4-carbonitrile
CID 104719006
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile
CID 104718624
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile (CID 104718943) is 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile is CC1CC1n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile?
The InChIKey is QWABLAVPGZQZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-7-5-10(7)16-9-4-2-3-8(6-13)11(9)15-12(16)14/h2-4,7,10H,5H2,1H3,(H2,14,15).
What are the key properties of 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile?
2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methylcyclopropyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).