2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile

C14H18N4 — CID 115129612

IUPAC2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
SMILESCn1cnc2cc(CCNC(C)(C)C#N)ccc21
InChIInChI=1S/C14H18N4/c1-14(2,9-15)17-7-6-11-4-5-13-12(8-11)16-10-18(13)3/h4-5,8,10,17H,6-7H2,1-3H3
InChIKeyLHMCEXVBZLKDIR-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.01
Rot. Bonds4

About 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile

2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile (PubChem CID 115129612) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
PubChem CID115129612
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile
SMILESCn1cnc2cc(CCNC(C)(C)C#N)ccc21
InChIInChI=1S/C14H18N4/c1-14(2,9-15)17-7-6-11-4-5-13-12(8-11)16-10-18(13)3/h4-5,8,10,17H,6-7H2,1-3H3
InChIKeyLHMCEXVBZLKDIR-UHFFFAOYSA-N
XLogP2.01
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(1-methylbenzimidazol-5-yl)propanenitrile
CID 116927691
2-methyl-2-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethylamino]propanenitrile
CID 115129616
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115234056
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269
N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115206036
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
3-chloro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115162649
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
1-cyano-N-[(1-methylbenzimidazol-5-yl)methyl]formamide
CID 115172225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile?
The IUPAC name of 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile (CID 115129612) is 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile?
The canonical SMILES for 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile is Cn1cnc2cc(CCNC(C)(C)C#N)ccc21.
What is the InChIKey of 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile?
The InChIKey is LHMCEXVBZLKDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,9-15)17-7-6-11-4-5-13-12(8-11)16-10-18(13)3/h4-5,8,10,17H,6-7H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile?
2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile has a molecular weight of 242.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(1-methylbenzimidazol-5-yl)ethylamino]propanenitrile is sourced from PubChem (CID 115129612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).