1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole

C18H17N5 — CID 14990846

IUPAC1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole
SMILESCc1cn(C(c2ccccc2)c2ccc3nnn(C)c3c2)cn1
InChIInChI=1S/C18H17N5/c1-13-11-23(12-19-13)18(14-6-4-3-5-7-14)15-8-9-16-17(10-15)22(2)21-20-16/h3-12,18H,1-2H3
InChIKeyCCMULFBFJSDFSK-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.11
Rot. Bonds3

About 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole

1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole (PubChem CID 14990846) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole.

Molecular Properties

Compound Name1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole
PubChem CID14990846
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole
SMILESCc1cn(C(c2ccccc2)c2ccc3nnn(C)c3c2)cn1
InChIInChI=1S/C18H17N5/c1-13-11-23(12-19-13)18(14-6-4-3-5-7-14)15-8-9-16-17(10-15)22(2)21-20-16/h3-12,18H,1-2H3
InChIKeyCCMULFBFJSDFSK-UHFFFAOYSA-N
XLogP3.11
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[imidazol-1-yl(thiophen-2-yl)methyl]-1-methylbenzotriazole
CID 14990853
5-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole;6-[(S)-(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole
CID 157478030
4-[(3-methylbenzotriazol-5-yl)-(tetrazol-2-yl)methyl]benzonitrile
CID 19981453
6-iodo-1-methylbenzotriazole
CID 121232021
CID 68739763
CID 68739763
[(4-chlorophenyl)-(3-methylbenzotriazol-5-yl)methyl]hydrazine;(2R)-2-hydroxy-2-phenylacetic acid
CID 131720170
3-(3-methylbenzotriazol-5-yl)-5-(1-phenylethyl)-1,2,4-oxadiazole
CID 53172577
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
methyl N-[6-[(4-fluorophenyl)-(4-methylimidazol-1-yl)methyl]-1H-benzimidazol-2-yl]carbamate
CID 14500558
6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
CID 19875835
6-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]-1-methylbenzotriazole
CID 68822015
2-[(4-chlorophenyl)-(3-methylbenzotriazol-5-yl)methyl]-1,3-thiazole
CID 15940782

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole?
The IUPAC name of 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole (CID 14990846) is 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole.
What is the SMILES notation for 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole?
The canonical SMILES for 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole is Cc1cn(C(c2ccccc2)c2ccc3nnn(C)c3c2)cn1.
What is the InChIKey of 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole?
The InChIKey is CCMULFBFJSDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-13-11-23(12-19-13)18(14-6-4-3-5-7-14)15-8-9-16-17(10-15)22(2)21-20-16/h3-12,18H,1-2H3.
What are the key properties of 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole?
1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole has a molecular weight of 303.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole is sourced from PubChem (CID 14990846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).