1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one

C17H23N5O2 — CID 71990918

IUPAC1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one
SMILESCC(C)Cc1nnc(C(C)Nc2ccc3c(c2)n(C)c(=O)n3C)o1
InChIInChI=1S/C17H23N5O2/c1-10(2)8-15-19-20-16(24-15)11(3)18-12-6-7-13-14(9-12)22(5)17(23)21(13)4/h6-7,9-11,18H,8H2,1-5H3
InChIKeyNRDDDOUGMSFSRQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.63
Rot. Bonds5

About 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one

1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one (PubChem CID 71990918) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one
PubChem CID71990918
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one
SMILESCC(C)Cc1nnc(C(C)Nc2ccc3c(c2)n(C)c(=O)n3C)o1
InChIInChI=1S/C17H23N5O2/c1-10(2)8-15-19-20-16(24-15)11(3)18-12-6-7-13-14(9-12)22(5)17(23)21(13)4/h6-7,9-11,18H,8H2,1-5H3
InChIKeyNRDDDOUGMSFSRQ-UHFFFAOYSA-N
XLogP2.63
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one (CID 71990918) is 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one is CC(C)Cc1nnc(C(C)Nc2ccc3c(c2)n(C)c(=O)n3C)o1.
What is the InChIKey of 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one?
The InChIKey is NRDDDOUGMSFSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)8-15-19-20-16(24-15)11(3)18-12-6-7-13-14(9-12)22(5)17(23)21(13)4/h6-7,9-11,18H,8H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one?
1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethylamino]benzimidazol-2-one is sourced from PubChem (CID 71990918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).