[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone

C19H20N4O2 — CID 53111281

IUPAC[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1Cn1nnc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C19H20N4O2/c1-14-4-2-3-5-16(14)13-23-18-7-6-15(12-17(18)20-21-23)19(24)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3
InChIKeyXPOBCBSTSJKXIY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.26
Rot. Bonds3

About [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone

[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 53111281) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone
PubChem CID53111281
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1Cn1nnc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C19H20N4O2/c1-14-4-2-3-5-16(14)13-23-18-7-6-15(12-17(18)20-21-23)19(24)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3
InChIKeyXPOBCBSTSJKXIY-UHFFFAOYSA-N
XLogP2.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethylphenyl)methyl]benzotriazole-5-carboxylic acid
CID 64695907
1-[(2-methylphenyl)methyl]-N-(4-propan-2-ylphenyl)benzotriazole-5-carboxamide
CID 53111293
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111242
(1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397847
N-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111252
N-(5-chloro-2-pyridinyl)-1-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111228
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-methylphenyl)methyl]benzotriazol-5-yl]methanone
CID 53111474
(1-ethylbenzotriazol-5-yl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849984
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 30855256
1-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53085070
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone (CID 53111281) is [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone is Cc1ccccc1Cn1nnc2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is XPOBCBSTSJKXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-4-2-3-5-16(14)13-23-18-7-6-15(12-17(18)20-21-23)19(24)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone?
[1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylphenyl)methyl]benzotriazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53111281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).