2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate

C15H16Cl2N4O3 — CID 6733411

IUPAC2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
SMILESCc1cccc(CCOC(=O)NNC(=O)Cn2cnc(Cl)c2Cl)c1
InChIInChI=1S/C15H16Cl2N4O3/c1-10-3-2-4-11(7-10)5-6-24-15(23)20-19-12(22)8-21-9-18-13(16)14(21)17/h2-4,7,9H,5-6,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyBLTBKXUNLRBICS-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.50
Rot. Bonds5

About 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate

2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate (PubChem CID 6733411) has the molecular formula C15H16Cl2N4O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate.

Molecular Properties

Compound Name2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
PubChem CID6733411
Molecular FormulaC15H16Cl2N4O3
Molecular Weight371.22 g/mol
Exact Mass370.06
IUPAC Name2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
SMILESCc1cccc(CCOC(=O)NNC(=O)Cn2cnc(Cl)c2Cl)c1
InChIInChI=1S/C15H16Cl2N4O3/c1-10-3-2-4-11(7-10)5-6-24-15(23)20-19-12(22)8-21-9-18-13(16)14(21)17/h2-4,7,9H,5-6,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyBLTBKXUNLRBICS-UHFFFAOYSA-N
XLogP2.50
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methylphenyl)methyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 42979961
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide
CID 32743558
5-chloro-N-[(3-methylphenyl)methylsulfonyl]-1-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 139453083
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
3-(3-methylphenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82726212
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-(3-fluorophenyl)ethyl N-[[(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoyl]amino]carbamate
CID 45109530
3-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 2778705
2-phenylethyl 4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 4946923
ethyl N-[(3-methylphenyl)methoxy]carbamate
CID 121006140
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
ethane;3-[(3-methylphenyl)methylcarbamoyloxy]propyl acetate
CID 142907005

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
The IUPAC name of 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate (CID 6733411) is 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate.
What is the SMILES notation for 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
The canonical SMILES for 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate is Cc1cccc(CCOC(=O)NNC(=O)Cn2cnc(Cl)c2Cl)c1.
What is the InChIKey of 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
The InChIKey is BLTBKXUNLRBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O3/c1-10-3-2-4-11(7-10)5-6-24-15(23)20-19-12(22)8-21-9-18-13(16)14(21)17/h2-4,7,9H,5-6,8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate has a molecular weight of 371.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate is sourced from PubChem (CID 6733411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).