3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile

C15H20N4 — CID 62647635

IUPAC3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C15H20N4/c1-4-12(9-10-16)17-11(2)15-18-13-7-5-6-8-14(13)19(15)3/h5-8,11-12,17H,4,9H2,1-3H3
InChIKeyDUXCYIQYMFXKTC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.92
Rot. Bonds5

About 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile

3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile (PubChem CID 62647635) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
PubChem CID62647635
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1nc2ccccc2n1C
InChIInChI=1S/C15H20N4/c1-4-12(9-10-16)17-11(2)15-18-13-7-5-6-8-14(13)19(15)3/h5-8,11-12,17H,4,9H2,1-3H3
InChIKeyDUXCYIQYMFXKTC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]hexan-2-amine
CID 62197068
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115898492
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]-2-phenylethanol
CID 110931079
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
CID 81396604
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43545364
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 113350156

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile?
The IUPAC name of 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile (CID 62647635) is 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile is CCC(CC#N)NC(C)c1nc2ccccc2n1C.
What is the InChIKey of 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile?
The InChIKey is DUXCYIQYMFXKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-12(9-10-16)17-11(2)15-18-13-7-5-6-8-14(13)19(15)3/h5-8,11-12,17H,4,9H2,1-3H3.
What are the key properties of 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile?
3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile has a molecular weight of 256.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 62647635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).