[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone

C20H24N4OS — CID 136548898

IUPAC[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncsc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H24N4OS/c1-13(2)18-19(26-12-21-18)20(25)24-9-7-14(8-10-24)11-17-22-15-5-3-4-6-16(15)23-17/h3-6,12-14H,7-11H2,1-2H3,(H,22,23)
InChIKeyKMQIOYMYQOTBPV-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.24
Rot. Bonds4

About [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone

[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 136548898) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID136548898
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncsc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H24N4OS/c1-13(2)18-19(26-12-21-18)20(25)24-9-7-14(8-10-24)11-17-22-15-5-3-4-6-16(15)23-17/h3-6,12-14H,7-11H2,1-2H3,(H,22,23)
InChIKeyKMQIOYMYQOTBPV-UHFFFAOYSA-N
XLogP4.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)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

4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
cis-(1R,2S)-2-[4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167744160
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 128903538
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 70781186
2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole
CID 138032901
2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
CID 122155584
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909812
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 136548898) is [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone is CC(C)c1ncsc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is KMQIOYMYQOTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13(2)18-19(26-12-21-18)20(25)24-9-7-14(8-10-24)11-17-22-15-5-3-4-6-16(15)23-17/h3-6,12-14H,7-11H2,1-2H3,(H,22,23).
What are the key properties of [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 368.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 136548898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).