1-ethyl-2,3-dimethyl-2-phenylbenzimidazole

C17H20N2 — CID 3124417

IUPAC1-ethyl-2,3-dimethyl-2-phenylbenzimidazole
SMILESCCN1c2ccccc2N(C)C1(C)c1ccccc1
InChIInChI=1S/C17H20N2/c1-4-19-16-13-9-8-12-15(16)18(3)17(19,2)14-10-6-5-7-11-14/h5-13H,4H2,1-3H3
InChIKeyQWPMTQMHWWDYRA-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.84
Rot. Bonds2

About 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole

1-ethyl-2,3-dimethyl-2-phenylbenzimidazole (PubChem CID 3124417) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-2-phenylbenzimidazole
PubChem CID3124417
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-ethyl-2,3-dimethyl-2-phenylbenzimidazole
SMILESCCN1c2ccccc2N(C)C1(C)c1ccccc1
InChIInChI=1S/C17H20N2/c1-4-19-16-13-9-8-12-15(16)18(3)17(19,2)14-10-6-5-7-11-14/h5-13H,4H2,1-3H3
InChIKeyQWPMTQMHWWDYRA-UHFFFAOYSA-N
XLogP3.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole?
The IUPAC name of 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole (CID 3124417) is 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole?
The canonical SMILES for 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole is CCN1c2ccccc2N(C)C1(C)c1ccccc1.
What is the InChIKey of 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole?
The InChIKey is QWPMTQMHWWDYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-4-19-16-13-9-8-12-15(16)18(3)17(19,2)14-10-6-5-7-11-14/h5-13H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole?
1-ethyl-2,3-dimethyl-2-phenylbenzimidazole has a molecular weight of 252.36 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-2-phenylbenzimidazole is sourced from PubChem (CID 3124417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).