4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine

C19H18N4O — CID 955835

IUPAC4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine
SMILESCc1nn2c3cc(N4CCOCC4)ccc3nc2c2ccccc12
InChIInChI=1S/C19H18N4O/c1-13-15-4-2-3-5-16(15)19-20-17-7-6-14(12-18(17)23(19)21-13)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3
InChIKeyOGUOXRPVMIPQFU-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.18
Rot. Bonds1

About 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine

4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine (PubChem CID 955835) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine.

Molecular Properties

Compound Name4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine
PubChem CID955835
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine
SMILESCc1nn2c3cc(N4CCOCC4)ccc3nc2c2ccccc12
InChIInChI=1S/C19H18N4O/c1-13-15-4-2-3-5-16(15)19-20-17-7-6-14(12-18(17)23(19)21-13)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3
InChIKeyOGUOXRPVMIPQFU-UHFFFAOYSA-N
XLogP3.18
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine?
The IUPAC name of 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine (CID 955835) is 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine.
What is the SMILES notation for 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine?
The canonical SMILES for 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine is Cc1nn2c3cc(N4CCOCC4)ccc3nc2c2ccccc12.
What is the InChIKey of 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine?
The InChIKey is OGUOXRPVMIPQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-15-4-2-3-5-16(15)19-20-17-7-6-14(12-18(17)23(19)21-13)22-8-10-24-11-9-22/h2-7,12H,8-11H2,1H3.
What are the key properties of 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine?
4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine has a molecular weight of 318.38 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylbenzimidazolo[2,1-a]phthalazin-9-yl)morpholine is sourced from PubChem (CID 955835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).