[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone

C20H21N3O3 — CID 3239407

IUPAC[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14-21-18-13-15(20(24)22-9-11-26-12-10-22)3-8-19(18)23(14)16-4-6-17(25-2)7-5-16/h3-8,13H,9-12H2,1-2H3
InChIKeyLNEGEHXACOVUCK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.81
Rot. Bonds3

About [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone

[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 3239407) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID3239407
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14-21-18-13-15(20(24)22-9-11-26-12-10-22)3-8-19(18)23(14)16-4-6-17(25-2)7-5-16/h3-8,13H,9-12H2,1-2H3
InChIKeyLNEGEHXACOVUCK-UHFFFAOYSA-N
XLogP2.81
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
Mchb-1
CID 44561533
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 16279719
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
N-Cycloheptyl-1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 4287729
1-benzyl-4-{1-[2-(4-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
CID 4754175
2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone (CID 3239407) is [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone is COc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is LNEGEHXACOVUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-21-18-13-15(20(24)22-9-11-26-12-10-22)3-8-19(18)23(14)16-4-6-17(25-2)7-5-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone?
[1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-2-methylbenzimidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3239407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).