1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine

C14H16N4O — CID 106376371

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc(Cn2c(C)nc3cc(N)ccc32)oc1C
InChIInChI=1S/C14H16N4O/c1-8-9(2)19-14(16-8)7-18-10(3)17-12-6-11(15)4-5-13(12)18/h4-6H,7,15H2,1-3H3
InChIKeyRBCZXLXFRRUZAY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.58
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine (PubChem CID 106376371) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
PubChem CID106376371
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc(Cn2c(C)nc3cc(N)ccc32)oc1C
InChIInChI=1S/C14H16N4O/c1-8-9(2)19-14(16-8)7-18-10(3)17-12-6-11(15)4-5-13(12)18/h4-6H,7,15H2,1-3H3
InChIKeyRBCZXLXFRRUZAY-UHFFFAOYSA-N
XLogP2.58
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine (CID 106376371) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine is Cc1nc(Cn2c(C)nc3cc(N)ccc32)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine?
The InChIKey is RBCZXLXFRRUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-9(2)19-14(16-8)7-18-10(3)17-12-6-11(15)4-5-13(12)18/h4-6H,7,15H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine has a molecular weight of 256.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 106376371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).