N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide

C22H22N4O2 — CID 42479573

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide
SMILESC[C@H](c1ccccc1)c1cc(C(=O)NCCc2nc3ccccc3n2C)on1
InChIInChI=1S/C22H22N4O2/c1-15(16-8-4-3-5-9-16)18-14-20(28-25-18)22(27)23-13-12-21-24-17-10-6-7-11-19(17)26(21)2/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyANBIIXQKQUFEST-OAHLLOKOSA-N
MW374.44 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide (PubChem CID 42479573) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide
PubChem CID42479573
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide
SMILESC[C@H](c1ccccc1)c1cc(C(=O)NCCc2nc3ccccc3n2C)on1
InChIInChI=1S/C22H22N4O2/c1-15(16-8-4-3-5-9-16)18-14-20(28-25-18)22(27)23-13-12-21-24-17-10-6-7-11-19(17)26(21)2/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyANBIIXQKQUFEST-OAHLLOKOSA-N
XLogP3.69
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
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N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
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CID 74232653
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
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(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
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3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
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1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
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N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide (CID 42479573) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide is C[C@H](c1ccccc1)c1cc(C(=O)NCCc2nc3ccccc3n2C)on1.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ANBIIXQKQUFEST-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(16-8-4-3-5-9-16)18-14-20(28-25-18)22(27)23-13-12-21-24-17-10-6-7-11-19(17)26(21)2/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-[(1R)-1-phenylethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42479573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).