1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine

C19H18N4O — CID 86566737

IUPAC1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
InChIKeyJNHVPJQTAXBUHN-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.94
Rot. Bonds3

About 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine

1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine (PubChem CID 86566737) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine.

Molecular Properties

Compound Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine
PubChem CID86566737
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3
InChIKeyJNHVPJQTAXBUHN-UHFFFAOYSA-N
XLogP3.94
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6S)-1-(3,4-difluorophenyl)-6-(5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl)piperidin-2-one
CID 134457551
4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole
CID 86301666
5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[2-(Morpholin-4-Yl)ethyl]-2-(2-Phenylethyl)-1h-Benzimidazole
CID 72201025
N-Tert-Butyl-2-[4-(3,5-Dimethyl-1,2-Oxazol-4-Yl)phenyl]imidazo[1,2-A]pyrazin-3-Amine
CID 86208116
1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole
CID 72201024
4-[[6-(3,5-Dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 71720056
N-tert-butyl-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 117841261
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270
5-[1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine
CID 118060057
6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[[4-(oxiran-2-yl)phenyl]methyl]benzimidazol-4-amine
CID 121414854
Bet-IN-19
CID 121375819
(3S,5S)-1-(3,4-difluorophenyl)-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoropyrrolidin-2-one
CID 172053308

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine?
The IUPAC name of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine (CID 86566737) is 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine.
What is the SMILES notation for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine?
The canonical SMILES for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine is Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine?
The InChIKey is JNHVPJQTAXBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-18(13(2)24-22-12)15-8-16(20)19-17(9-15)23(11-21-19)10-14-6-4-3-5-7-14/h3-9,11H,10,20H2,1-2H3.
What are the key properties of 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine?
1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine has a molecular weight of 318.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-4-amine is sourced from PubChem (CID 86566737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).