7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one

C19H18N4O3 — CID 121375946

IUPAC7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1noc(C)c1-c1cc(N)c2[nH]c(=O)n(Cc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H18N4O3/c1-10-17(11(2)26-22-10)13-7-15(20)18-16(8-13)23(19(25)21-18)9-12-3-5-14(24)6-4-12/h3-8,24H,9,20H2,1-2H3,(H,21,25)
InChIKeyUDUWWZOGWUTVMF-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.94
Rot. Bonds3

About 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one

7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 121375946) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID121375946
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCc1noc(C)c1-c1cc(N)c2[nH]c(=O)n(Cc3ccc(O)cc3)c2c1
InChIInChI=1S/C19H18N4O3/c1-10-17(11(2)26-22-10)13-7-15(20)18-16(8-13)23(19(25)21-18)9-12-3-5-14(24)6-4-12/h3-8,24H,9,20H2,1-2H3,(H,21,25)
InChIKeyUDUWWZOGWUTVMF-UHFFFAOYSA-N
XLogP2.94
TPSA110.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol
CID 90667393
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]phenol
CID 87056287
CID 158729484
CID 158729484
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
CID 121375958
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 90234030
3-amino-5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-one
CID 126692116
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
CID 87057244
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 90234954
3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206724
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375785
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375783

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one (CID 121375946) is 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one is Cc1noc(C)c1-c1cc(N)c2[nH]c(=O)n(Cc3ccc(O)cc3)c2c1.
What is the InChIKey of 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is UDUWWZOGWUTVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-10-17(11(2)26-22-10)13-7-15(20)18-16(8-13)23(19(25)21-18)9-12-3-5-14(24)6-4-12/h3-8,24H,9,20H2,1-2H3,(H,21,25).
What are the key properties of 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one?
7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 121375946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).