1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine

C20H20N6O — CID 146422703

IUPAC1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
SMILESNCC(N)(c1ccc(-c2noc(C3CC3)n2)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H20N6O/c21-10-20(22,15-7-8-16-17(9-15)24-11-23-16)14-5-3-12(4-6-14)18-25-19(27-26-18)13-1-2-13/h3-9,11,13H,1-2,10,21-22H2,(H,23,24)
InChIKeyVSSJBRJWBQSWOM-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.65
Rot. Bonds5

About 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine

1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine (PubChem CID 146422703) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
PubChem CID146422703
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine
SMILESNCC(N)(c1ccc(-c2noc(C3CC3)n2)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H20N6O/c21-10-20(22,15-7-8-16-17(9-15)24-11-23-16)14-5-3-12(4-6-14)18-25-19(27-26-18)13-1-2-13/h3-9,11,13H,1-2,10,21-22H2,(H,23,24)
InChIKeyVSSJBRJWBQSWOM-UHFFFAOYSA-N
XLogP2.65
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine (CID 146422703) is 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine is NCC(N)(c1ccc(-c2noc(C3CC3)n2)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine?
The InChIKey is VSSJBRJWBQSWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c21-10-20(22,15-7-8-16-17(9-15)24-11-23-16)14-5-3-12(4-6-14)18-25-19(27-26-18)13-1-2-13/h3-9,11,13H,1-2,10,21-22H2,(H,23,24).
What are the key properties of 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine?
1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine has a molecular weight of 360.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 146422703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).