[2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane

C26H36N4O2 — CID 143458137

IUPAC[2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane
SMILESCC.CCN(CC)Cc1cc(-c2nc3ccc(C(=O)N4CCOCC4)cc3[nH]2)ccc1C
InChIInChI=1S/C24H30N4O2.C2H6/c1-4-27(5-2)16-20-14-18(7-6-17(20)3)23-25-21-9-8-19(15-22(21)26-23)24(29)28-10-12-30-13-11-28;1-2/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,26);1-2H3
InChIKeyBINRPFUQQQPXOU-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.88
Rot. Bonds6

About [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane

[2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane (PubChem CID 143458137) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane.

Molecular Properties

Compound Name[2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane
PubChem CID143458137
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name[2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane
SMILESCC.CCN(CC)Cc1cc(-c2nc3ccc(C(=O)N4CCOCC4)cc3[nH]2)ccc1C
InChIInChI=1S/C24H30N4O2.C2H6/c1-4-27(5-2)16-20-14-18(7-6-17(20)3)23-25-21-9-8-19(15-22(21)26-23)24(29)28-10-12-30-13-11-28;1-2/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,26);1-2H3
InChIKeyBINRPFUQQQPXOU-UHFFFAOYSA-N
XLogP4.88
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;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-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]propan-2-one
CID 135163730
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
[2-[1-(benzenesulfonyl)pyrrol-2-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
CID 59785176
3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone
CID 137256868
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
(3-ethenyl-4-methylphenyl)-morpholin-4-ylmethanone
CID 154827558
[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 136538502
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
[(4R)-4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 97110069
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393

Frequently Asked Questions

What is the IUPAC name of [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane?
The IUPAC name of [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane (CID 143458137) is [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane.
What is the SMILES notation for [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane?
The canonical SMILES for [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane is CC.CCN(CC)Cc1cc(-c2nc3ccc(C(=O)N4CCOCC4)cc3[nH]2)ccc1C.
What is the InChIKey of [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane?
The InChIKey is BINRPFUQQQPXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C2H6/c1-4-27(5-2)16-20-14-18(7-6-17(20)3)23-25-21-9-8-19(15-22(21)26-23)24(29)28-10-12-30-13-11-28;1-2/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,26);1-2H3.
What are the key properties of [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane?
[2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane has a molecular weight of 436.60 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(diethylaminomethyl)-4-methylphenyl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone;ethane is sourced from PubChem (CID 143458137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).