[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone

C28H25ClN4O3 — CID 10028961

IUPAC[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1cccc(-c2[nH]c(C3CCN(C(=O)c4cccc(Cl)c4)CC3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C28H25ClN4O3/c1-17-4-2-7-22(30-17)26-25(19-8-9-23-24(15-19)36-16-35-23)31-27(32-26)18-10-12-33(13-11-18)28(34)20-5-3-6-21(29)14-20/h2-9,14-15,18H,10-13,16H2,1H3,(H,31,32)
InChIKeyBTAJRCJWIJOGDV-UHFFFAOYSA-N
MW500.99 g/mol
LogP5.85
Rot. Bonds4

About [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone

[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 10028961) has the molecular formula C28H25ClN4O3 and a molecular weight of 500.99 g/mol. Its IUPAC name is [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone
PubChem CID10028961
Molecular FormulaC28H25ClN4O3
Molecular Weight500.99 g/mol
Exact Mass500.16
IUPAC Name[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1cccc(-c2[nH]c(C3CCN(C(=O)c4cccc(Cl)c4)CC3)nc2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C28H25ClN4O3/c1-17-4-2-7-22(30-17)26-25(19-8-9-23-24(15-19)36-16-35-23)31-27(32-26)18-10-12-33(13-11-18)28(34)20-5-3-6-21(29)14-20/h2-9,14-15,18H,10-13,16H2,1H3,(H,31,32)
InChIKeyBTAJRCJWIJOGDV-UHFFFAOYSA-N
XLogP5.85
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid
CID 142779159
benzyl N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]cyclohexyl]carbamate
CID 11627625
2-[4-(1,3-benzodioxol-5-yl)-2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-1H-imidazol-5-yl]-6-methylpyridine
CID 69007763
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;1,2-dichloro-3-(isocyanatomethyl)benzene
CID 158406570
2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 159425847
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-benzoylbenzamide
CID 10186138
ethyl 2-[[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]piperidin-1-yl]methyl]cyclopropane-1-carboxylate
CID 11583706
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124985003
N-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 10456129
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 10158985
2-[4-(1,3-benzodioxol-5-yl)-2-butyl-1H-imidazol-5-yl]-6-methylpyridine
CID 142081726
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799555

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone (CID 10028961) is [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone is Cc1cccc(-c2[nH]c(C3CCN(C(=O)c4cccc(Cl)c4)CC3)nc2-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is BTAJRCJWIJOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O3/c1-17-4-2-7-22(30-17)26-25(19-8-9-23-24(15-19)36-16-35-23)31-27(32-26)18-10-12-33(13-11-18)28(34)20-5-3-6-21(29)14-20/h2-9,14-15,18H,10-13,16H2,1H3,(H,31,32).
What are the key properties of [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone?
[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 500.99 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]piperidin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 10028961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).