[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone

C18H24N4O — CID 121472714

IUPAC[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H24N4O/c23-17(15-5-2-1-3-6-15)22-10-9-19-18(22)21-13-11-20(12-14-21)16-7-4-8-16/h1-3,5-6,16H,4,7-14H2
InChIKeyHZKYIZSJJCFDQH-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.67
Rot. Bonds2

About [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone

[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone (PubChem CID 121472714) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone
PubChem CID121472714
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H24N4O/c23-17(15-5-2-1-3-6-15)22-10-9-19-18(22)21-13-11-20(12-14-21)16-7-4-8-16/h1-3,5-6,16H,4,7-14H2
InChIKeyHZKYIZSJJCFDQH-UHFFFAOYSA-N
XLogP1.67
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)benzamide
CID 2948240
[2-(4-Cyclobutyl-1,4-diazepane-1-carbonyl)-2,9-diazaspiro[4.5]decan-9-yl]-phenylmethanone
CID 76311113
[2-(4-Cyclobutylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
CID 76329185
[2-(4-Cyclobutyl-1,4-diazepane-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
CID 76336464
N-[N'-benzyl-N,N-di(propan-2-yl)carbamimidoyl]benzamide
CID 3839091
2-(4-benzylpiperazin-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135460542
(4-Cyclohexylpiperazin-1-yl)(phenyl)methanone
CID 796437
8-Benzoyl-3-benzyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 168274267
US10202354, Example 87
CID 121477763
US10202354, Example 83
CID 121477786
US10202354, Example 86
CID 121477788
US10202354, Example 88
CID 121477791

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The IUPAC name of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone (CID 121472714) is [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
The InChIKey is HZKYIZSJJCFDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c23-17(15-5-2-1-3-6-15)22-10-9-19-18(22)21-13-11-20(12-14-21)16-7-4-8-16/h1-3,5-6,16H,4,7-14H2.
What are the key properties of [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone?
[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone has a molecular weight of 312.42 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 121472714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).