1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile

C13H14N4 — CID 116942996

IUPAC1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
SMILESCc1nc2ccc(C(N)C3(C#N)CC3)cc2[nH]1
InChIInChI=1S/C13H14N4/c1-8-16-10-3-2-9(6-11(10)17-8)12(15)13(7-14)4-5-13/h2-3,6,12H,4-5,15H2,1H3,(H,16,17)
InChIKeyIBERPDXPHJXXHO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.17
Rot. Bonds2

About 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile

1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 116942996) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID116942996
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
SMILESCc1nc2ccc(C(N)C3(C#N)CC3)cc2[nH]1
InChIInChI=1S/C13H14N4/c1-8-16-10-3-2-9(6-11(10)17-8)12(15)13(7-14)4-5-13/h2-3,6,12H,4-5,15H2,1H3,(H,16,17)
InChIKeyIBERPDXPHJXXHO-UHFFFAOYSA-N
XLogP2.17
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116944980
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944102
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile
CID 116909830
1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 116914174
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920882
4-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]-N-methylaniline
CID 116936897

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile (CID 116942996) is 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile is Cc1nc2ccc(C(N)C3(C#N)CC3)cc2[nH]1.
What is the InChIKey of 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is IBERPDXPHJXXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-8-16-10-3-2-9(6-11(10)17-8)12(15)13(7-14)4-5-13/h2-3,6,12H,4-5,15H2,1H3,(H,16,17).
What are the key properties of 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile?
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116942996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).