3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one

C21H29N3O — CID 15270694

IUPAC3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one
SMILESCCN(CC)CCn1c(-c2ccccc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C21H29N3O/c1-5-23(6-2)12-13-24-19-17(14-21(3,4)15-18(19)25)22-20(24)16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3
InChIKeyTXZPBVDTEQXOFL-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.05
Rot. Bonds6

About 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one

3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one (PubChem CID 15270694) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one
PubChem CID15270694
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one
SMILESCCN(CC)CCn1c(-c2ccccc2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C21H29N3O/c1-5-23(6-2)12-13-24-19-17(14-21(3,4)15-18(19)25)22-20(24)16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3
InChIKeyTXZPBVDTEQXOFL-UHFFFAOYSA-N
XLogP4.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one (CID 15270694) is 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one is CCN(CC)CCn1c(-c2ccccc2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one?
The InChIKey is TXZPBVDTEQXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-23(6-2)12-13-24-19-17(14-21(3,4)15-18(19)25)22-20(24)16-10-8-7-9-11-16/h7-11H,5-6,12-15H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one?
3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one has a molecular weight of 339.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one is sourced from PubChem (CID 15270694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).