2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile

C19H21N3 — CID 510039

IUPAC2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile
SMILESCCN1c2ccccc2N(CCc2ccccc2)C1CC#N
InChIInChI=1S/C19H21N3/c1-2-21-17-10-6-7-11-18(17)22(19(21)12-14-20)15-13-16-8-4-3-5-9-16/h3-11,19H,2,12-13,15H2,1H3
InChIKeyMEDSBFZPUMCWHN-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.82
Rot. Bonds5

About 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile

2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile (PubChem CID 510039) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile
PubChem CID510039
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile
SMILESCCN1c2ccccc2N(CCc2ccccc2)C1CC#N
InChIInChI=1S/C19H21N3/c1-2-21-17-10-6-7-11-18(17)22(19(21)12-14-20)15-13-16-8-4-3-5-9-16/h3-11,19H,2,12-13,15H2,1H3
InChIKeyMEDSBFZPUMCWHN-UHFFFAOYSA-N
XLogP3.82
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile (CID 510039) is 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile is CCN1c2ccccc2N(CCc2ccccc2)C1CC#N.
What is the InChIKey of 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile?
The InChIKey is MEDSBFZPUMCWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-21-17-10-6-7-11-18(17)22(19(21)12-14-20)15-13-16-8-4-3-5-9-16/h3-11,19H,2,12-13,15H2,1H3.
What are the key properties of 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile?
2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile has a molecular weight of 291.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-3-(2-phenylethyl)-2H-benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 510039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).