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

C24H22ClFN4O2S — CID 89459681

IUPAC[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate
SMILESCc1nc(-c2ccc(F)cc2Cl)sc1COC(=O)Nc1ccc2c(c1)nc1n2C(C)CCC1
InChIInChI=1S/C24H22ClFN4O2S/c1-13-4-3-5-22-29-19-11-16(7-9-20(19)30(13)22)28-24(31)32-12-21-14(2)27-23(33-21)17-8-6-15(26)10-18(17)25/h6-11,13H,3-5,12H2,1-2H3,(H,28,31)
InChIKeyPYYAORZOSGYHJR-UHFFFAOYSA-N
MW484.98 g/mol
LogP6.91
Rot. Bonds4

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

[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate (PubChem CID 89459681) has the molecular formula C24H22ClFN4O2S and a molecular weight of 484.98 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate
PubChem CID89459681
Molecular FormulaC24H22ClFN4O2S
Molecular Weight484.98 g/mol
Exact Mass484.11
IUPAC Name[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate
SMILESCc1nc(-c2ccc(F)cc2Cl)sc1COC(=O)Nc1ccc2c(c1)nc1n2C(C)CCC1
InChIInChI=1S/C24H22ClFN4O2S/c1-13-4-3-5-22-29-19-11-16(7-9-20(19)30(13)22)28-24(31)32-12-21-14(2)27-23(33-21)17-8-6-15(26)10-18(17)25/h6-11,13H,3-5,12H2,1-2H3,(H,28,31)
InChIKeyPYYAORZOSGYHJR-UHFFFAOYSA-N
XLogP6.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
The IUPAC name of [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate (CID 89459681) is [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate.
What is the SMILES notation for [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
The canonical SMILES for [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate is Cc1nc(-c2ccc(F)cc2Cl)sc1COC(=O)Nc1ccc2c(c1)nc1n2C(C)CCC1.
What is the InChIKey of [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
The InChIKey is PYYAORZOSGYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2S/c1-13-4-3-5-22-29-19-11-16(7-9-20(19)30(13)22)28-24(31)32-12-21-14(2)27-23(33-21)17-8-6-15(26)10-18(17)25/h6-11,13H,3-5,12H2,1-2H3,(H,28,31).
What are the key properties of [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate?
[2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate has a molecular weight of 484.98 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate is sourced from PubChem (CID 89459681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).