2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile

C12H14N4 — CID 116909830

IUPAC2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile
SMILESCc1nc2ccc(C(C#N)N(C)C)cc2[nH]1
InChIInChI=1S/C12H14N4/c1-8-14-10-5-4-9(6-11(10)15-8)12(7-13)16(2)3/h4-6,12H,1-3H3,(H,14,15)
InChIKeyOYAGGHTWEVZURR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.00
Rot. Bonds2

About 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile

2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile (PubChem CID 116909830) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile
PubChem CID116909830
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile
SMILESCc1nc2ccc(C(C#N)N(C)C)cc2[nH]1
InChIInChI=1S/C12H14N4/c1-8-14-10-5-4-9(6-11(10)15-8)12(7-13)16(2)3/h4-6,12H,1-3H3,(H,14,15)
InChIKeyOYAGGHTWEVZURR-UHFFFAOYSA-N
XLogP2.00
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 116914174
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116942996
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile?
The IUPAC name of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile (CID 116909830) is 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile is Cc1nc2ccc(C(C#N)N(C)C)cc2[nH]1.
What is the InChIKey of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile?
The InChIKey is OYAGGHTWEVZURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-14-10-5-4-9(6-11(10)15-8)12(7-13)16(2)3/h4-6,12H,1-3H3,(H,14,15).
What are the key properties of 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile?
2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetonitrile is sourced from PubChem (CID 116909830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).