N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide

C19H18ClN3O2 — CID 16030085

IUPACN-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
SMILESC1COCC2=NC3=C(N21)C=CC(=C3)C(=O)NCCC4=CC=CC=C4Cl
InChIInChI=1S/C19H18ClN3O2/c20-15-4-2-1-3-13(15)7-8-21-19(24)14-5-6-17-16(11-14)22-18-12-25-10-9-23(17)18/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyZPUANVCROPCVAG-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide

N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide (PubChem CID 16030085) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
PubChem CID16030085
Molecular FormulaC19H18ClN3O2
Molecular Weight355.80 g/mol
Exact Mass355.11
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
SMILESC1COCC2=NC3=C(N21)C=CC(=C3)C(=O)NCCC4=CC=CC=C4Cl
InChIInChI=1S/C19H18ClN3O2/c20-15-4-2-1-3-13(15)7-8-21-19(24)14-5-6-17-16(11-14)22-18-12-25-10-9-23(17)18/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyZPUANVCROPCVAG-UHFFFAOYSA-N
XLogP2.70
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity478

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((2-chlorophenyl)methyl)-1-(2,5-dimethylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 82017756
1-(3,4-Dichlorobenzyl)-2-Methyl-N-[(1r)-1-Phenylpropyl]-1h-Benzimidazole-5-Carboxamide
CID 44132499
2-(2-(4-Chlorophenyl)-1h-Imidazol-5-Yl)-N,1-Bis(2-Methoxyethyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 53475688
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132174
1-[(2,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132175
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
1-(2-chlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153309
1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153321
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 162710762
4-chloro-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 1121185
N-(4chlorophenethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 2098715
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3614184

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide (CID 16030085) is N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide is C1COCC2=NC3=C(N21)C=CC(=C3)C(=O)NCCC4=CC=CC=C4Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
The InChIKey is ZPUANVCROPCVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-4-2-1-3-13(15)7-8-21-19(24)14-5-6-17-16(11-14)22-18-12-25-10-9-23(17)18/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 16030085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).