[7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol

C31H53ClN2O2 — CID 152605722

IUPAC[7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC(C)C(CCCCCCCCCOCCCCc1c(CO)nc2cc(Cl)ccn12)(C(C)C)C(C)C
InChIInChI=1S/C31H53ClN2O2/c1-24(2)31(25(3)4,26(5)6)18-13-10-8-7-9-11-14-20-36-21-15-12-16-29-28(23-35)33-30-22-27(32)17-19-34(29)30/h17,19,22,24-26,35H,7-16,18,20-21,23H2,1-6H3
InChIKeyYYLPODGLVKLSDF-UHFFFAOYSA-N
MW521.23 g/mol
LogP8.89
Rot. Bonds19

About [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol

[7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 152605722) has the molecular formula C31H53ClN2O2 and a molecular weight of 521.23 g/mol. Its IUPAC name is [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID152605722
Molecular FormulaC31H53ClN2O2
Molecular Weight521.23 g/mol
Exact Mass520.38
IUPAC Name[7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESCC(C)C(CCCCCCCCCOCCCCc1c(CO)nc2cc(Cl)ccn12)(C(C)C)C(C)C
InChIInChI=1S/C31H53ClN2O2/c1-24(2)31(25(3)4,26(5)6)18-13-10-8-7-9-11-14-20-36-21-15-12-16-29-28(23-35)33-30-22-27(32)17-19-34(29)30/h17,19,22,24-26,35H,7-16,18,20-21,23H2,1-6H3
InChIKeyYYLPODGLVKLSDF-UHFFFAOYSA-N
XLogP8.89
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.23
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-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

Related Compounds

(2,7-dichloroimidazo[1,2-a]pyridin-3-yl)methanol
CID 82530130
[2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223695
1-(7-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-(5-methoxy-2-pyridinyl)phenyl]propan-1-one
CID 152815930
2-(7-chloro-3-methylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 83869402
(7-bromo-3-methylimidazo[1,2-a]pyridin-2-yl)methanol
CID 115044017
2-[6-(4-chlorophenyl)hexoxy]ethanol
CID 54545244
2-(7-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82530035
(1S)-1-(3-chlorophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179257
2-[7-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 82343126
2-(7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)ethanol
CID 115024623
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529905

Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol (CID 152605722) is [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol is CC(C)C(CCCCCCCCCOCCCCc1c(CO)nc2cc(Cl)ccn12)(C(C)C)C(C)C.
What is the InChIKey of [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is YYLPODGLVKLSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53ClN2O2/c1-24(2)31(25(3)4,26(5)6)18-13-10-8-7-9-11-14-20-36-21-15-12-16-29-28(23-35)33-30-22-27(32)17-19-34(29)30/h17,19,22,24-26,35H,7-16,18,20-21,23H2,1-6H3.
What are the key properties of [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol?
[7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 521.23 g/mol, XLogP of 8.89, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-[4-[11-methyl-10,10-di(propan-2-yl)dodecoxy]butyl]imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 152605722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).