(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone

C18H23ClN4O — CID 121477788

IUPAC(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23ClN4O/c19-15-4-1-3-14(13-15)17(24)23-8-7-20-18(23)22-11-9-21(10-12-22)16-5-2-6-16/h1,3-4,13,16H,2,5-12H2
InChIKeyOSSHYMWZUPKEBT-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.32
Rot. Bonds2

About (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone

(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 121477788) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID121477788
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C18H23ClN4O/c19-15-4-1-3-14(13-15)17(24)23-8-7-20-18(23)22-11-9-21(10-12-22)16-5-2-6-16/h1,3-4,13,16H,2,5-12H2
InChIKeyOSSHYMWZUPKEBT-UHFFFAOYSA-N
XLogP2.32
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
CID 53037832
(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53200218
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852
(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
CID 53037791
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;oxalic acid
CID 90483391
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369257
1-cyclobutyl-4-[1-(3,4-dichlorophenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine
CID 145118228
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
CID 4190547
(3-chlorophenyl)-[4-[(3S)-3-methylpiperidin-1-yl]piperidin-1-yl]methanone
CID 807187
(3-chloro-4-fluorophenyl)-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45231780

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (CID 121477788) is (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is OSSHYMWZUPKEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-15-4-1-3-14(13-15)17(24)23-8-7-20-18(23)22-11-9-21(10-12-22)16-5-2-6-16/h1,3-4,13,16H,2,5-12H2.
What are the key properties of (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 346.86 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 121477788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).