2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole

C18H23N5S — CID 138032901

IUPAC2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C(C)N2CCC(Cc3nc4ccccc4[nH]3)CC2)s1
InChIInChI=1S/C18H23N5S/c1-12(18-22-21-13(2)24-18)23-9-7-14(8-10-23)11-17-19-15-5-3-4-6-16(15)20-17/h3-6,12,14H,7-11H2,1-2H3,(H,19,20)
InChIKeyQANXSDLQWDLFTQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.74
Rot. Bonds4

About 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole

2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 138032901) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole
PubChem CID138032901
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(C(C)N2CCC(Cc3nc4ccccc4[nH]3)CC2)s1
InChIInChI=1S/C18H23N5S/c1-12(18-22-21-13(2)24-18)23-9-7-14(8-10-23)11-17-19-15-5-3-4-6-16(15)20-17/h3-6,12,14H,7-11H2,1-2H3,(H,19,20)
InChIKeyQANXSDLQWDLFTQ-UHFFFAOYSA-N
XLogP3.74
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole 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

ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
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
2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 72917014
2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 97453733
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 136548898
4-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 138031331
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 51697276
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole (CID 138032901) is 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(C(C)N2CCC(Cc3nc4ccccc4[nH]3)CC2)s1.
What is the InChIKey of 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is QANXSDLQWDLFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-12(18-22-21-13(2)24-18)23-9-7-14(8-10-23)11-17-19-15-5-3-4-6-16(15)20-17/h3-6,12,14H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole?
2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 341.48 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]ethyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 138032901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).