(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

C26H28N4O2S — CID 89459540

IUPAC(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
SMILESCc1ccc(-c2nc(C)c(NC(=O)OCc3ccc4c(c3)nc3n4C(C)CCC3)s2)c(C)c1
InChIInChI=1S/C26H28N4O2S/c1-15-8-10-20(16(2)12-15)25-27-18(4)24(33-25)29-26(31)32-14-19-9-11-22-21(13-19)28-23-7-5-6-17(3)30(22)23/h8-13,17H,5-7,14H2,1-4H3,(H,29,31)
InChIKeyDYNDNUMCGZWHOF-UHFFFAOYSA-N
MW460.60 g/mol
LogP6.73
Rot. Bonds4

About (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

(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 (PubChem CID 89459540) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID89459540
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name(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
SMILESCc1ccc(-c2nc(C)c(NC(=O)OCc3ccc4c(c3)nc3n4C(C)CCC3)s2)c(C)c1
InChIInChI=1S/C26H28N4O2S/c1-15-8-10-20(16(2)12-15)25-27-18(4)24(33-25)29-26(31)32-14-19-9-11-22-21(13-19)28-23-7-5-6-17(3)30(22)23/h8-13,17H,5-7,14H2,1-4H3,(H,29,31)
InChIKeyDYNDNUMCGZWHOF-UHFFFAOYSA-N
XLogP6.73
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(-c2nc(C)c(NC(=O)OCc3ccc4c(c3)nc3n4C(C)CCC3)s2)c(C)c1.
What is the InChIKey of (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?
The InChIKey is DYNDNUMCGZWHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-15-8-10-20(16(2)12-15)25-27-18(4)24(33-25)29-26(31)32-14-19-9-11-22-21(13-19)28-23-7-5-6-17(3)30(22)23/h8-13,17H,5-7,14H2,1-4H3,(H,29,31).
What are the key properties of (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?
(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 has a molecular weight of 460.60 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 89459540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).