2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile

C12H14N4 — CID 84621919

IUPAC2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(C(C)(C)N)nc2cc(C#N)ccc21
InChIInChI=1S/C12H14N4/c1-12(2,14)11-15-9-6-8(7-13)4-5-10(9)16(11)3/h4-6H,14H2,1-3H3
InChIKeyPKFDLWIEGRNYLZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.64
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile

2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 84621919) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID84621919
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(C(C)(C)N)nc2cc(C#N)ccc21
InChIInChI=1S/C12H14N4/c1-12(2,14)11-15-9-6-8(7-13)4-5-10(9)16(11)3/h4-6H,14H2,1-3H3
InChIKeyPKFDLWIEGRNYLZ-UHFFFAOYSA-N
XLogP1.64
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-1-methylbenzimidazole-5-carbonitrile
CID 65034926
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
CID 84632050
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-methylbenzimidazole-5-carbonitrile
CID 103311163
1-tert-butyl-2-(2-hydroxypropan-2-yl)benzimidazole-5-carbonitrile
CID 65040562
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
1-methyl-2-(2,2,2-trifluoroethyl)benzimidazole-5-carbonitrile
CID 65035685
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
CID 65035369
1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79807966
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
1-methyl-2-(2-methylcyclopropyl)benzimidazole-5-carbonitrile
CID 65034874
1-methyl-2-[2-(methylamino)ethyl]benzimidazole-5-carbonitrile
CID 84621917

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile (CID 84621919) is 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile is Cn1c(C(C)(C)N)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is PKFDLWIEGRNYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-12(2,14)11-15-9-6-8(7-13)4-5-10(9)16(11)3/h4-6H,14H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile?
2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 84621919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).