2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile

C16H22N4 — CID 102906796

IUPAC2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
SMILESCC(C)C(Cn1c(N)nc2c(C#N)cccc21)C(C)C
InChIInChI=1S/C16H22N4/c1-10(2)13(11(3)4)9-20-14-7-5-6-12(8-17)15(14)19-16(20)18/h5-7,10-11,13H,9H2,1-4H3,(H2,18,19)
InChIKeyKDXWLVDRKSBAMO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.42
Rot. Bonds4

About 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile

2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile (PubChem CID 102906796) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
PubChem CID102906796
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
SMILESCC(C)C(Cn1c(N)nc2c(C#N)cccc21)C(C)C
InChIInChI=1S/C16H22N4/c1-10(2)13(11(3)4)9-20-14-7-5-6-12(8-17)15(14)19-16(20)18/h5-7,10-11,13H,9H2,1-4H3,(H2,18,19)
InChIKeyKDXWLVDRKSBAMO-UHFFFAOYSA-N
XLogP3.42
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906962
2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
CID 104718908
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
2-amino-1-[2-(2-methylphenyl)ethyl]benzimidazole-4-carbonitrile
CID 104719063
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
CID 104718989
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
2-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]benzimidazole-4-carbonitrile
CID 104718640
2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
CID 104718973
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
2-amino-1-(3-cyclopentylpropyl)benzimidazole-4-carbonitrile
CID 106008009

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile (CID 102906796) is 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile is CC(C)C(Cn1c(N)nc2c(C#N)cccc21)C(C)C.
What is the InChIKey of 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile?
The InChIKey is KDXWLVDRKSBAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-10(2)13(11(3)4)9-20-14-7-5-6-12(8-17)15(14)19-16(20)18/h5-7,10-11,13H,9H2,1-4H3,(H2,18,19).
What are the key properties of 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile?
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 102906796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).