4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole

C26H33ClN4S — CID 177252938

IUPAC4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole
SMILESCC(C)N1CCN(c2ccc(-c3cc(Cl)c4nc(C5CCSCC5)n(C)c4c3)cc2)CC1
InChIInChI=1S/C26H33ClN4S/c1-18(2)30-10-12-31(13-11-30)22-6-4-19(5-7-22)21-16-23(27)25-24(17-21)29(3)26(28-25)20-8-14-32-15-9-20/h4-7,16-18,20H,8-15H2,1-3H3
InChIKeyVVXAYLYRORKCJI-UHFFFAOYSA-N
MW469.10 g/mol
LogP6.03
Rot. Bonds4

About 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole

4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole (PubChem CID 177252938) has the molecular formula C26H33ClN4S and a molecular weight of 469.10 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole.

Molecular Properties

Compound Name4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole
PubChem CID177252938
Molecular FormulaC26H33ClN4S
Molecular Weight469.10 g/mol
Exact Mass468.21
IUPAC Name4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole
SMILESCC(C)N1CCN(c2ccc(-c3cc(Cl)c4nc(C5CCSCC5)n(C)c4c3)cc2)CC1
InChIInChI=1S/C26H33ClN4S/c1-18(2)30-10-12-31(13-11-30)22-6-4-19(5-7-22)21-16-23(27)25-24(17-21)29(3)26(28-25)20-8-14-32-15-9-20/h4-7,16-18,20H,8-15H2,1-3H3
InChIKeyVVXAYLYRORKCJI-UHFFFAOYSA-N
XLogP6.03
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.10
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole 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

4-[1-methyl-4-piperidin-4-yl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazol-2-yl]thiane 1,1-dioxide
CID 171566112
4-[1-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazol-2-yl]thiane 1,1-dioxide
CID 171566113
tert-butyl 4-[2-(1,1-dioxothian-4-yl)-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171566132
1-methyl-2-(4-methylsulfonylphenyl)-4-[1-(oxan-4-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazole
CID 171566175
1-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazole
CID 171566083
1-chloro-3-(1-propan-2-ylpiperidin-4-yl)imidazo[1,5-a]pyridin-7-ol
CID 117251680
1-[4-[3-methyl-2-(oxan-4-yl)benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 134126837
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
4-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpiperidine
CID 117259172
N-(4-methylpiperazin-1-yl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]quinazolin-2-amine
CID 140543119
1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
CID 170687978
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole?
The IUPAC name of 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole (CID 177252938) is 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole.
What is the SMILES notation for 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole?
The canonical SMILES for 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole is CC(C)N1CCN(c2ccc(-c3cc(Cl)c4nc(C5CCSCC5)n(C)c4c3)cc2)CC1.
What is the InChIKey of 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole?
The InChIKey is VVXAYLYRORKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN4S/c1-18(2)30-10-12-31(13-11-30)22-6-4-19(5-7-22)21-16-23(27)25-24(17-21)29(3)26(28-25)20-8-14-32-15-9-20/h4-7,16-18,20H,8-15H2,1-3H3.
What are the key properties of 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole?
4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole has a molecular weight of 469.10 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-(thian-4-yl)benzimidazole is sourced from PubChem (CID 177252938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).