3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile

C15H20N4 — CID 55101796

IUPAC3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1nc2ccccc2n1CC
InChIInChI=1S/C15H20N4/c1-3-12(9-10-16)17-11-15-18-13-7-5-6-8-14(13)19(15)4-2/h5-8,12,17H,3-4,9,11H2,1-2H3
InChIKeyODRSCGCHGVFBBG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.84
Rot. Bonds6

About 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile

3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile (PubChem CID 55101796) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
PubChem CID55101796
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile
SMILESCCC(CC#N)NCc1nc2ccccc2n1CC
InChIInChI=1S/C15H20N4/c1-3-12(9-10-16)17-11-15-18-13-7-5-6-8-14(13)19(15)4-2/h5-8,12,17H,3-4,9,11H2,1-2H3
InChIKeyODRSCGCHGVFBBG-UHFFFAOYSA-N
XLogP2.84
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
CID 61151100
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
3-[1-(1-methylbenzimidazol-2-yl)ethylamino]pentanenitrile
CID 62647635
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
3-[(1-ethylbenzimidazol-2-yl)methylamino]benzonitrile
CID 61020625
3-(quinolin-4-ylmethylamino)pentanenitrile
CID 55251720
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile?
The IUPAC name of 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile (CID 55101796) is 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile.
What is the SMILES notation for 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile?
The canonical SMILES for 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile is CCC(CC#N)NCc1nc2ccccc2n1CC.
What is the InChIKey of 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile?
The InChIKey is ODRSCGCHGVFBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-12(9-10-16)17-11-15-18-13-7-5-6-8-14(13)19(15)4-2/h5-8,12,17H,3-4,9,11H2,1-2H3.
What are the key properties of 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile?
3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile has a molecular weight of 256.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylbenzimidazol-2-yl)methylamino]pentanenitrile is sourced from PubChem (CID 55101796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).