1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol

C19H26N4O2 — CID 47053529

IUPAC1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol
SMILESCc1cc2ncn(CC(O)CN(C)Cc3c(C)noc3C)c2cc1C
InChIInChI=1S/C19H26N4O2/c1-12-6-18-19(7-13(12)2)23(11-20-18)9-16(24)8-22(5)10-17-14(3)21-25-15(17)4/h6-7,11,16,24H,8-10H2,1-5H3
InChIKeyVWXFVPQAGPAPMC-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.75
Rot. Bonds6

About 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol

1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol (PubChem CID 47053529) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol
PubChem CID47053529
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol
SMILESCc1cc2ncn(CC(O)CN(C)Cc3c(C)noc3C)c2cc1C
InChIInChI=1S/C19H26N4O2/c1-12-6-18-19(7-13(12)2)23(11-20-18)9-16(24)8-22(5)10-17-14(3)21-25-15(17)4/h6-7,11,16,24H,8-10H2,1-5H3
InChIKeyVWXFVPQAGPAPMC-UHFFFAOYSA-N
XLogP2.75
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol (CID 47053529) is 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol is Cc1cc2ncn(CC(O)CN(C)Cc3c(C)noc3C)c2cc1C.
What is the InChIKey of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol?
The InChIKey is VWXFVPQAGPAPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-6-18-19(7-13(12)2)23(11-20-18)9-16(24)8-22(5)10-17-14(3)21-25-15(17)4/h6-7,11,16,24H,8-10H2,1-5H3.
What are the key properties of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol?
1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylbenzimidazol-1-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 47053529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).