[1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol

C17H20ClN7O — CID 167764311

IUPAC[1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESOC(c1ncc[nH]1)C1CCN(Cc2cc(Cl)cc(-c3nn[nH]n3)c2)CC1
InChIInChI=1S/C17H20ClN7O/c18-14-8-11(7-13(9-14)16-21-23-24-22-16)10-25-5-1-12(2-6-25)15(26)17-19-3-4-20-17/h3-4,7-9,12,15,26H,1-2,5-6,10H2,(H,19,20)(H,21,22,23,24)
InChIKeyMLLPHVAGWQFLSK-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.19
Rot. Bonds5

About [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol

[1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol (PubChem CID 167764311) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol
PubChem CID167764311
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC Name[1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol
SMILESOC(c1ncc[nH]1)C1CCN(Cc2cc(Cl)cc(-c3nn[nH]n3)c2)CC1
InChIInChI=1S/C17H20ClN7O/c18-14-8-11(7-13(9-14)16-21-23-24-22-16)10-25-5-1-12(2-6-25)15(26)17-19-3-4-20-17/h3-4,7-9,12,15,26H,1-2,5-6,10H2,(H,19,20)(H,21,22,23,24)
InChIKeyMLLPHVAGWQFLSK-UHFFFAOYSA-N
XLogP2.19
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The IUPAC name of [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol (CID 167764311) is [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The canonical SMILES for [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol is OC(c1ncc[nH]1)C1CCN(Cc2cc(Cl)cc(-c3nn[nH]n3)c2)CC1.
What is the InChIKey of [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
The InChIKey is MLLPHVAGWQFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c18-14-8-11(7-13(9-14)16-21-23-24-22-16)10-25-5-1-12(2-6-25)15(26)17-19-3-4-20-17/h3-4,7-9,12,15,26H,1-2,5-6,10H2,(H,19,20)(H,21,22,23,24).
What are the key properties of [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol?
[1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol has a molecular weight of 373.85 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-chloro-5-(2H-tetrazol-5-yl)phenyl]methyl]piperidin-4-yl]-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 167764311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).