4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine

C27H24N4O2 — CID 171663395

IUPAC4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine
SMILESCOc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)n3c(n2)nc2ccccc23)cc1
InChIInChI=1S/C27H24N4O2/c1-32-22-12-8-19(9-13-22)24-18-26(31-25-5-3-2-4-23(25)28-27(31)29-24)20-6-10-21(11-7-20)30-14-16-33-17-15-30/h2-13,18H,14-17H2,1H3
InChIKeyMCIDYLJNICYSHM-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.06
Rot. Bonds4

About 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine

4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine (PubChem CID 171663395) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine
PubChem CID171663395
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine
SMILESCOc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)n3c(n2)nc2ccccc23)cc1
InChIInChI=1S/C27H24N4O2/c1-32-22-12-8-19(9-13-22)24-18-26(31-25-5-3-2-4-23(25)28-27(31)29-24)20-6-10-21(11-7-20)30-14-16-33-17-15-30/h2-13,18H,14-17H2,1H3
InChIKeyMCIDYLJNICYSHM-UHFFFAOYSA-N
XLogP5.06
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 122378727
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
4-[1-(4-methoxyphenyl)benzimidazol-5-yl]morpholine
CID 164852088
4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-yl]morpholine
CID 24802682
4-[5-[4-chloro-6-(4-methoxyphenyl)-2-pyridinyl]-1,3-thiazol-2-yl]morpholine
CID 171470169
15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
CID 101382430
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551198
methane;3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazol-1-amine
CID 160864544

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine (CID 171663395) is 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine is COc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)n3c(n2)nc2ccccc23)cc1.
What is the InChIKey of 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine?
The InChIKey is MCIDYLJNICYSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-32-22-12-8-19(9-13-22)24-18-26(31-25-5-3-2-4-23(25)28-27(31)29-24)20-6-10-21(11-7-20)30-14-16-33-17-15-30/h2-13,18H,14-17H2,1H3.
What are the key properties of 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine?
4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine has a molecular weight of 436.52 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine is sourced from PubChem (CID 171663395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).