4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane

C21H26ClN3O2 — CID 171806383

IUPAC4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane
SMILESCC.COc1ccc(-n2c(C)nc3ccc(N4CCOCC4)cc32)cc1Cl
InChIInChI=1S/C19H20ClN3O2.C2H6/c1-13-21-17-5-3-14(22-7-9-25-10-8-22)12-18(17)23(13)15-4-6-19(24-2)16(20)11-15;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3
InChIKeyZURNLKHBAFGKSC-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.86
Rot. Bonds3

About 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane

4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane (PubChem CID 171806383) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane.

Molecular Properties

Compound Name4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane
PubChem CID171806383
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane
SMILESCC.COc1ccc(-n2c(C)nc3ccc(N4CCOCC4)cc32)cc1Cl
InChIInChI=1S/C19H20ClN3O2.C2H6/c1-13-21-17-5-3-14(22-7-9-25-10-8-22)12-18(17)23(13)15-4-6-19(24-2)16(20)11-15;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3
InChIKeyZURNLKHBAFGKSC-UHFFFAOYSA-N
XLogP4.86
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-methyl-6-phenylbenzimidazole
CID 171806435
6-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazole;ethane
CID 171806446
4-(4-methoxy-2-methylquinolin-6-yl)-1,4-oxazepane
CID 166834682
4-methoxy-6-morpholin-4-ylquinoline-2-carboxylic acid
CID 102942059
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 29075973
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
CID 88962202
CID 88962202
N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184851
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-ethynyl-6-(4-methylpiperazin-1-yl)benzimidazole
CID 171806361
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 141139716

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane?
The IUPAC name of 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane (CID 171806383) is 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane.
What is the SMILES notation for 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane?
The canonical SMILES for 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane is CC.COc1ccc(-n2c(C)nc3ccc(N4CCOCC4)cc32)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane?
The InChIKey is ZURNLKHBAFGKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2.C2H6/c1-13-21-17-5-3-14(22-7-9-25-10-8-22)12-18(17)23(13)15-4-6-19(24-2)16(20)11-15;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3.
What are the key properties of 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane?
4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane has a molecular weight of 387.91 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-methoxyphenyl)-2-methylbenzimidazol-5-yl]morpholine;ethane is sourced from PubChem (CID 171806383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).