[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone

C23H26N4O — CID 164624181

IUPAC[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccccc3)c(C)nc12
InChIInChI=1S/C23H26N4O/c1-4-25(5-2)15-16-26-19-13-9-10-14-20(19)27-21(17(3)24-23(26)27)22(28)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3
InChIKeyBXNQMBOTWRJXJY-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.17
Rot. Bonds7

About [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone

[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone (PubChem CID 164624181) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone
PubChem CID164624181
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone
SMILESCCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccccc3)c(C)nc12
InChIInChI=1S/C23H26N4O/c1-4-25(5-2)15-16-26-19-13-9-10-14-20(19)27-21(17(3)24-23(26)27)22(28)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3
InChIKeyBXNQMBOTWRJXJY-UHFFFAOYSA-N
XLogP4.17
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone?
The IUPAC name of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone (CID 164624181) is [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone is CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccccc3)c(C)nc12.
What is the InChIKey of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone?
The InChIKey is BXNQMBOTWRJXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-25(5-2)15-16-26-19-13-9-10-14-20(19)27-21(17(3)24-23(26)27)22(28)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3.
What are the key properties of [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone?
[4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone has a molecular weight of 374.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]benzimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 164624181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).