3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

C21H23N3OS — CID 56710301

IUPAC3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCc1cccc2[nH]c(C3CCN(Cc4cc(C#CCO)cs4)CC3)nc12
InChIInChI=1S/C21H23N3OS/c1-15-4-2-6-19-20(15)23-21(22-19)17-7-9-24(10-8-17)13-18-12-16(14-26-18)5-3-11-25/h2,4,6,12,14,17,25H,7-11,13H2,1H3,(H,22,23)
InChIKeyZZWMIAZLRQUDDL-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.66
Rot. Bonds3

About 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol

3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (PubChem CID 56710301) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
PubChem CID56710301
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
SMILESCc1cccc2[nH]c(C3CCN(Cc4cc(C#CCO)cs4)CC3)nc12
InChIInChI=1S/C21H23N3OS/c1-15-4-2-6-19-20(15)23-21(22-19)17-7-9-24(10-8-17)13-18-12-16(14-26-18)5-3-11-25/h2,4,6,12,14,17,25H,7-11,13H2,1H3,(H,22,23)
InChIKeyZZWMIAZLRQUDDL-UHFFFAOYSA-N
XLogP3.66
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56910309
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CID 56899728
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70746403
N-[1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-4-yl]-N-phenylpropanamide
CID 131917297
[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95217260
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
3-[5-[[3-(3-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 74590002
ethyl 4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperazine-1-carboxylate
CID 107877674
3-[5-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131900463
3-[5-[[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 85480031
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
3-[5-[(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 56754023

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol (CID 56710301) is 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is Cc1cccc2[nH]c(C3CCN(Cc4cc(C#CCO)cs4)CC3)nc12.
What is the InChIKey of 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
The InChIKey is ZZWMIAZLRQUDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15-4-2-6-19-20(15)23-21(22-19)17-7-9-24(10-8-17)13-18-12-16(14-26-18)5-3-11-25/h2,4,6,12,14,17,25H,7-11,13H2,1H3,(H,22,23).
What are the key properties of 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol?
3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol has a molecular weight of 365.50 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol is sourced from PubChem (CID 56710301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).