4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine

C25H26ClN5O — CID 145172022

IUPAC4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine
SMILESClc1cccc(C2CCCc3nc4ccc(C5=CNC(N6CCOCC6)=NC5)cn4c32)c1
InChIInChI=1S/C25H26ClN5O/c26-20-4-1-3-17(13-20)21-5-2-6-22-24(21)31-16-18(7-8-23(31)29-22)19-14-27-25(28-15-19)30-9-11-32-12-10-30/h1,3-4,7-8,13-14,16,21H,2,5-6,9-12,15H2,(H,27,28)
InChIKeyYYVRBHMSWXWUDN-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.09
Rot. Bonds2

About 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine

4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine (PubChem CID 145172022) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine
PubChem CID145172022
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine
SMILESClc1cccc(C2CCCc3nc4ccc(C5=CNC(N6CCOCC6)=NC5)cn4c32)c1
InChIInChI=1S/C25H26ClN5O/c26-20-4-1-3-17(13-20)21-5-2-6-22-24(21)31-16-18(7-8-23(31)29-22)19-14-27-25(28-15-19)30-9-11-32-12-10-30/h1,3-4,7-8,13-14,16,21H,2,5-6,9-12,15H2,(H,27,28)
InChIKeyYYVRBHMSWXWUDN-UHFFFAOYSA-N
XLogP4.09
TPSA54.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(6-methyl-2-pyridinyl)-1,4-dihydropyrimidin-2-yl]morpholine
CID 143075252
(7S)-7-(3-chlorophenyl)-2-morpholin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 51717701
(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
1-chloro-3-(2-chlorocyclohex-2-en-1-yl)benzene
CID 174623974
ethyl (4R,5R)-4-(3-chlorophenyl)-2-morpholin-4-yl-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41455900
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110656867
3-[2-chloro-6-(trifluoromethoxy)phenyl]-11-fluoro-12-(2-morpholin-4-ylpyrimidin-5-yl)-4-oxa-1,8-diazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152508
(8S)-N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)imidazo[1,2-a]pyridin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 24829994
4-[4-[[3-[3-(3-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 110150199
[2-(3-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]hydrazine
CID 70867227
6-chloro-3-(1,4-dioxan-2-ylsulfanyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 177387024
4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 121309712

Frequently Asked Questions

What is the IUPAC name of 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine (CID 145172022) is 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine is Clc1cccc(C2CCCc3nc4ccc(C5=CNC(N6CCOCC6)=NC5)cn4c32)c1.
What is the InChIKey of 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine?
The InChIKey is YYVRBHMSWXWUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c26-20-4-1-3-17(13-20)21-5-2-6-22-24(21)31-16-18(7-8-23(31)29-22)19-14-27-25(28-15-19)30-9-11-32-12-10-30/h1,3-4,7-8,13-14,16,21H,2,5-6,9-12,15H2,(H,27,28).
What are the key properties of 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine?
4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine has a molecular weight of 447.97 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[9-(3-chlorophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl]-1,4-dihydropyrimidin-2-yl]morpholine is sourced from PubChem (CID 145172022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).