2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile

C16H22N4 — CID 82311241

IUPAC2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
SMILESCCc1ccc2c(c1)nc(C(CC)N(C)C)n2CC#N
InChIInChI=1S/C16H22N4/c1-5-12-7-8-15-13(11-12)18-16(20(15)10-9-17)14(6-2)19(3)4/h7-8,11,14H,5-6,10H2,1-4H3
InChIKeyKRYJFTAWNHKHMO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.13
Rot. Bonds5

About 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile

2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile (PubChem CID 82311241) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
PubChem CID82311241
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
SMILESCCc1ccc2c(c1)nc(C(CC)N(C)C)n2CC#N
InChIInChI=1S/C16H22N4/c1-5-12-7-8-15-13(11-12)18-16(20(15)10-9-17)14(6-2)19(3)4/h7-8,11,14H,5-6,10H2,1-4H3
InChIKeyKRYJFTAWNHKHMO-UHFFFAOYSA-N
XLogP3.13
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile (CID 82311241) is 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile is CCc1ccc2c(c1)nc(C(CC)N(C)C)n2CC#N.
What is the InChIKey of 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile?
The InChIKey is KRYJFTAWNHKHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-12-7-8-15-13(11-12)18-16(20(15)10-9-17)14(6-2)19(3)4/h7-8,11,14H,5-6,10H2,1-4H3.
What are the key properties of 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile?
2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).