[2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol

C23H21ClN4OS — CID 24860866

IUPAC[2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol
SMILESCC(C)Cc1cn(-c2nc(-c3nc4c(CO)cccc4[nH]3)cs2)c2cc(Cl)ccc12
InChIInChI=1S/C23H21ClN4OS/c1-13(2)8-15-10-28(20-9-16(24)6-7-17(15)20)23-26-19(12-30-23)22-25-18-5-3-4-14(11-29)21(18)27-22/h3-7,9-10,12-13,29H,8,11H2,1-2H3,(H,25,27)
InChIKeyQUBNQNBWMCDLNN-UHFFFAOYSA-N
MW436.97 g/mol
LogP5.97
Rot. Bonds5

About [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol

[2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol (PubChem CID 24860866) has the molecular formula C23H21ClN4OS and a molecular weight of 436.97 g/mol. Its IUPAC name is [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol
PubChem CID24860866
Molecular FormulaC23H21ClN4OS
Molecular Weight436.97 g/mol
Exact Mass436.11
IUPAC Name[2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol
SMILESCC(C)Cc1cn(-c2nc(-c3nc4c(CO)cccc4[nH]3)cs2)c2cc(Cl)ccc12
InChIInChI=1S/C23H21ClN4OS/c1-13(2)8-15-10-28(20-9-16(24)6-7-17(15)20)23-26-19(12-30-23)22-25-18-5-3-4-14(11-29)21(18)27-22/h3-7,9-10,12-13,29H,8,11H2,1-2H3,(H,25,27)
InChIKeyQUBNQNBWMCDLNN-UHFFFAOYSA-N
XLogP5.97
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.97
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-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 [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol?
The IUPAC name of [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol (CID 24860866) is [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol.
What is the SMILES notation for [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol?
The canonical SMILES for [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol is CC(C)Cc1cn(-c2nc(-c3nc4c(CO)cccc4[nH]3)cs2)c2cc(Cl)ccc12.
What is the InChIKey of [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol?
The InChIKey is QUBNQNBWMCDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4OS/c1-13(2)8-15-10-28(20-9-16(24)6-7-17(15)20)23-26-19(12-30-23)22-25-18-5-3-4-14(11-29)21(18)27-22/h3-7,9-10,12-13,29H,8,11H2,1-2H3,(H,25,27).
What are the key properties of [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol?
[2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol has a molecular weight of 436.97 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[6-chloro-3-(2-methylpropyl)indol-1-yl]-1,3-thiazol-4-yl]-1H-benzimidazol-4-yl]methanol is sourced from PubChem (CID 24860866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).