3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

C10H16N4O — CID 10584496

IUPAC3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCCCn1cnc2c1NC=NCC2O
InChIInChI=1S/C10H16N4O/c1-2-3-4-14-7-13-9-8(15)5-11-6-12-10(9)14/h6-8,15H,2-5H2,1H3,(H,11,12)
InChIKeyLEIRTXFZIOCKDF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.17
Rot. Bonds3

About 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (PubChem CID 10584496) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.

Molecular Properties

Compound Name3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
PubChem CID10584496
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCCCn1cnc2c1NC=NCC2O
InChIInChI=1S/C10H16N4O/c1-2-3-4-14-7-13-9-8(15)5-11-6-12-10(9)14/h6-8,15H,2-5H2,1H3,(H,11,12)
InChIKeyLEIRTXFZIOCKDF-UHFFFAOYSA-N
XLogP1.17
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The IUPAC name of 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (CID 10584496) is 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.
What is the SMILES notation for 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The canonical SMILES for 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is CCCCn1cnc2c1NC=NCC2O.
What is the InChIKey of 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The InChIKey is LEIRTXFZIOCKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-3-4-14-7-13-9-8(15)5-11-6-12-10(9)14/h6-8,15H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol has a molecular weight of 208.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is sourced from PubChem (CID 10584496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).