4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine

C14H19N3O — CID 115292247

IUPAC4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine
SMILESCc1ccc2c(c1)nc(C1(N)CCOCC1)n2C
InChIInChI=1S/C14H19N3O/c1-10-3-4-12-11(9-10)16-13(17(12)2)14(15)5-7-18-8-6-14/h3-4,9H,5-8,15H2,1-2H3
InChIKeyHNQIVKFGTPRUGW-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.85
Rot. Bonds1

About 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine

4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine (PubChem CID 115292247) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine
PubChem CID115292247
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine
SMILESCc1ccc2c(c1)nc(C1(N)CCOCC1)n2C
InChIInChI=1S/C14H19N3O/c1-10-3-4-12-11(9-10)16-13(17(12)2)14(15)5-7-18-8-6-14/h3-4,9H,5-8,15H2,1-2H3
InChIKeyHNQIVKFGTPRUGW-UHFFFAOYSA-N
XLogP1.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine?
The IUPAC name of 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine (CID 115292247) is 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine?
The canonical SMILES for 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine is Cc1ccc2c(c1)nc(C1(N)CCOCC1)n2C.
What is the InChIKey of 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine?
The InChIKey is HNQIVKFGTPRUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-3-4-12-11(9-10)16-13(17(12)2)14(15)5-7-18-8-6-14/h3-4,9H,5-8,15H2,1-2H3.
What are the key properties of 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine?
4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylbenzimidazol-2-yl)oxan-4-amine is sourced from PubChem (CID 115292247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).