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

C16H20ClN3O — CID 53037832

IUPAC(3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCC1CCN(C2=NCCN2C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O/c1-12-5-8-19(9-6-12)16-18-7-10-20(16)15(21)13-3-2-4-14(17)11-13/h2-4,11-12H,5-10H2,1H3
InChIKeyPZTCTGXBOFKVRO-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.88
Rot. Bonds1

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

(3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 53037832) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID53037832
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCC1CCN(C2=NCCN2C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H20ClN3O/c1-12-5-8-19(9-6-12)16-18-7-10-20(16)15(21)13-3-2-4-14(17)11-13/h2-4,11-12H,5-10H2,1H3
InChIKeyPZTCTGXBOFKVRO-UHFFFAOYSA-N
XLogP2.88
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-[2-(4-cyclobutylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
CID 121477788
(4-tert-butylphenyl)-[2-[4-(3-chlorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53200218
(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
CID 53037791
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
(3-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7262567
3-chloro-N-(4-methylpiperidine-1-carbothioyl)benzamide
CID 4940435
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109166494
(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
[2-[(4-bromophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(3-chlorophenyl)methanone
CID 4190547
(3-chlorophenyl)-[1-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 172890641
3-chloro-N-[6-(4-methylpiperidin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]benzamide
CID 42685325
[(3aS,6aR)-1-[2-(dimethylamino)ethyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-chlorophenyl)methanone
CID 125182939

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (CID 53037832) is (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is CC1CCN(C2=NCCN2C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is PZTCTGXBOFKVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12-5-8-19(9-6-12)16-18-7-10-20(16)15(21)13-3-2-4-14(17)11-13/h2-4,11-12H,5-10H2,1H3.
What are the key properties of (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
(3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 305.81 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(4-methylpiperidin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 53037832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).