3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile

C15H20N4 — CID 115231375

IUPAC3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile
SMILESCn1cnc2cc(C(C)(C)CNCCC#N)ccc21
InChIInChI=1S/C15H20N4/c1-15(2,10-17-8-4-7-16)12-5-6-14-13(9-12)18-11-19(14)3/h5-6,9,11,17H,4,8,10H2,1-3H3
InChIKeyMXUSZNJXOQKMSE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.35
Rot. Bonds5

About 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile

3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile (PubChem CID 115231375) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile
PubChem CID115231375
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile
SMILESCn1cnc2cc(C(C)(C)CNCCC#N)ccc21
InChIInChI=1S/C15H20N4/c1-15(2,10-17-8-4-7-16)12-5-6-14-13(9-12)18-11-19(14)3/h5-6,9,11,17H,4,8,10H2,1-3H3
InChIKeyMXUSZNJXOQKMSE-UHFFFAOYSA-N
XLogP2.35
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]acetonitrile
CID 115131551
2-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]ethanethiol
CID 115224519
N-[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]carbamoyl chloride
CID 115195194
3-[[2-(4-tert-butylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231309
4-[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232107
3-[[2-(2,3-dihydro-1H-inden-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231328
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115234056
3-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]propanenitrile
CID 115231332
2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
CID 115129612
3-[[2-(4-ethylsulfanylphenyl)-2-methylpropyl]amino]propanenitrile
CID 115231368
3-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]propanenitrile
CID 115231351

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile?
The IUPAC name of 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile (CID 115231375) is 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile.
What is the SMILES notation for 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile?
The canonical SMILES for 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile is Cn1cnc2cc(C(C)(C)CNCCC#N)ccc21.
What is the InChIKey of 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile?
The InChIKey is MXUSZNJXOQKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,10-17-8-4-7-16)12-5-6-14-13(9-12)18-11-19(14)3/h5-6,9,11,17H,4,8,10H2,1-3H3.
What are the key properties of 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile?
3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile has a molecular weight of 256.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]amino]propanenitrile is sourced from PubChem (CID 115231375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).