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

C24H23FN4O2S — CID 89459535

IUPAC1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nc2n3CCCC2)s1
InChIInChI=1S/C24H23FN4O2S/c1-14-11-17(25)7-8-18(14)23-26-15(2)22(32-23)28-24(30)31-13-16-6-9-20-19(12-16)27-21-5-3-4-10-29(20)21/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,28,30)
InChIKeyOOYZJTWJIZCXPS-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.00
Rot. Bonds4

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

1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89459535) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89459535
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC Name1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nc2n3CCCC2)s1
InChIInChI=1S/C24H23FN4O2S/c1-14-11-17(25)7-8-18(14)23-26-15(2)22(32-23)28-24(30)31-13-16-6-9-20-19(12-16)27-21-5-3-4-10-29(20)21/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,28,30)
InChIKeyOOYZJTWJIZCXPS-UHFFFAOYSA-N
XLogP6.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)carbamate
CID 89456287
1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459533
(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459538
(1-methylbenzimidazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89459589
(1-ethylbenzimidazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89459592
3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
CID 89459615
[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate
CID 89459652
[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
CID 89459660
[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 89459669
[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)carbamate
CID 89459674
[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 89459795
[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate
CID 89459796

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89459535) is 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is Cc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)nc2n3CCCC2)s1.
What is the InChIKey of 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is OOYZJTWJIZCXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-14-11-17(25)7-8-18(14)23-26-15(2)22(32-23)28-24(30)31-13-16-6-9-20-19(12-16)27-21-5-3-4-10-29(20)21/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,28,30).
What are the key properties of 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 450.54 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89459535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).