[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate

C24H23ClN4O2S — CID 89459678

IUPAC[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate
SMILESCc1cc(Cl)ccc1-c1nc(C)c(COC(=O)Nc2ccc3c(c2)nc2n3CCCC2)s1
InChIInChI=1S/C24H23ClN4O2S/c1-14-11-16(25)6-8-18(14)23-26-15(2)21(32-23)13-31-24(30)27-17-7-9-20-19(12-17)28-22-5-3-4-10-29(20)22/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,27,30)
InChIKeyLWFYHTCOEIHBNM-UHFFFAOYSA-N
MW466.99 g/mol
LogP6.52
Rot. Bonds4

About [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate

[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate (PubChem CID 89459678) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate
PubChem CID89459678
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate
SMILESCc1cc(Cl)ccc1-c1nc(C)c(COC(=O)Nc2ccc3c(c2)nc2n3CCCC2)s1
InChIInChI=1S/C24H23ClN4O2S/c1-14-11-16(25)6-8-18(14)23-26-15(2)21(32-23)13-31-24(30)27-17-7-9-20-19(12-17)28-22-5-3-4-10-29(20)22/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,27,30)
InChIKeyLWFYHTCOEIHBNM-UHFFFAOYSA-N
XLogP6.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzotriazol-5-yl)carbamate
CID 89459646
[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(2-methyl-1,3-benzothiazol-5-yl)carbamate
CID 89456309
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469572
3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[2-(4-chloro-2-methylphenyl)-4-ethyl-1,3-thiazol-5-yl]carbamate
CID 89459620
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylindazol-5-yl)carbamate
CID 89459685
2-(methylamino)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide;hydrochloride
CID 120703565
[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylindazol-5-yl)carbamate
CID 89459688
5-amino-2-methyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 120639719
2-methylsulfanyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)acetamide
CID 17434505
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)carbamate
CID 89459749
(2S)-2-amino-4-methyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)pentanamide;dihydrochloride
CID 119829323
(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)methyl N-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459540

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
The IUPAC name of [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate (CID 89459678) is [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate.
What is the SMILES notation for [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
The canonical SMILES for [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate is Cc1cc(Cl)ccc1-c1nc(C)c(COC(=O)Nc2ccc3c(c2)nc2n3CCCC2)s1.
What is the InChIKey of [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
The InChIKey is LWFYHTCOEIHBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-14-11-16(25)6-8-18(14)23-26-15(2)21(32-23)13-31-24(30)27-17-7-9-20-19(12-17)28-22-5-3-4-10-29(20)22/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,27,30).
What are the key properties of [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
[2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate has a molecular weight of 466.99 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate is sourced from PubChem (CID 89459678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).