2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone

C19H22N6O — CID 50978578

IUPAC2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone
SMILESCn1ccnc1-c1c(-c2ccccc2)ncn1CC(=O)N1CCNCC1
InChIInChI=1S/C19H22N6O/c1-23-10-9-21-19(23)18-17(15-5-3-2-4-6-15)22-14-25(18)13-16(26)24-11-7-20-8-12-24/h2-6,9-10,14,20H,7-8,11-13H2,1H3
InChIKeyCNKQSYBDFWQHOU-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.38
Rot. Bonds4

About 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone

2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 50978578) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID50978578
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone
SMILESCn1ccnc1-c1c(-c2ccccc2)ncn1CC(=O)N1CCNCC1
InChIInChI=1S/C19H22N6O/c1-23-10-9-21-19(23)18-17(15-5-3-2-4-6-15)22-14-25(18)13-16(26)24-11-7-20-8-12-24/h2-6,9-10,14,20H,7-8,11-13H2,1H3
InChIKeyCNKQSYBDFWQHOU-UHFFFAOYSA-N
XLogP1.38
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone (CID 50978578) is 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone is Cn1ccnc1-c1c(-c2ccccc2)ncn1CC(=O)N1CCNCC1.
What is the InChIKey of 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is CNKQSYBDFWQHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23-10-9-21-19(23)18-17(15-5-3-2-4-6-15)22-14-25(18)13-16(26)24-11-7-20-8-12-24/h2-6,9-10,14,20H,7-8,11-13H2,1H3.
What are the key properties of 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone?
2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 350.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 50978578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).