2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile

C15H18N4 — CID 104718989

IUPAC2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
SMILESCC1(Cn2c(N)nc3c(C#N)cccc32)CCCC1
InChIInChI=1S/C15H18N4/c1-15(7-2-3-8-15)10-19-12-6-4-5-11(9-16)13(12)18-14(19)17/h4-6H,2-3,7-8,10H2,1H3,(H2,17,18)
InChIKeyBFVYWZILOGUZPE-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.07
Rot. Bonds2

About 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile

2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile (PubChem CID 104718989) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
PubChem CID104718989
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile
SMILESCC1(Cn2c(N)nc3c(C#N)cccc32)CCCC1
InChIInChI=1S/C15H18N4/c1-15(7-2-3-8-15)10-19-12-6-4-5-11(9-16)13(12)18-14(19)17/h4-6H,2-3,7-8,10H2,1H3,(H2,17,18)
InChIKeyBFVYWZILOGUZPE-UHFFFAOYSA-N
XLogP3.07
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile (CID 104718989) is 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile is CC1(Cn2c(N)nc3c(C#N)cccc32)CCCC1.
What is the InChIKey of 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile?
The InChIKey is BFVYWZILOGUZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-15(7-2-3-8-15)10-19-12-6-4-5-11(9-16)13(12)18-14(19)17/h4-6H,2-3,7-8,10H2,1H3,(H2,17,18).
What are the key properties of 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile?
2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(1-methylcyclopentyl)methyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 104718989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).