2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole

C14H14ClN5O — CID 79754810

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole
SMILESCCOc1nc(Cl)nc(Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H14ClN5O/c1-3-21-14-18-11(17-13(15)19-14)8-12-16-9-6-4-5-7-10(9)20(12)2/h4-7H,3,8H2,1-2H3
InChIKeyBIZLXKDXEPEPKD-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.40
Rot. Bonds4

About 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole (PubChem CID 79754810) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole
PubChem CID79754810
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole
SMILESCCOc1nc(Cl)nc(Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C14H14ClN5O/c1-3-21-14-18-11(17-13(15)19-14)8-12-16-9-6-4-5-7-10(9)20(12)2/h4-7H,3,8H2,1-2H3
InChIKeyBIZLXKDXEPEPKD-UHFFFAOYSA-N
XLogP2.40
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
CID 79753901
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-ethyl-N-methyl-6-[(1-methylbenzimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80939043
5-chloro-3-[(1-methylbenzimidazol-2-yl)methyl]pyridin-2-amine
CID 79750643
2-(4-chlorobut-2-ynyl)-1-methylbenzimidazole
CID 79754296
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
5-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 79754305
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308
3-ethoxy-N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116721301

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole (CID 79754810) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole is CCOc1nc(Cl)nc(Cc2nc3ccccc3n2C)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole?
The InChIKey is BIZLXKDXEPEPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-3-21-14-18-11(17-13(15)19-14)8-12-16-9-6-4-5-7-10(9)20(12)2/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole has a molecular weight of 303.75 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole is sourced from PubChem (CID 79754810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).