N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide

C21H24N4O4 — CID 15990296

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O4/c1-23-17-12-15(22-20(26)14-6-4-5-7-19(14)28-3)16(25-8-10-29-11-9-25)13-18(17)24(2)21(23)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKeySMPYLMAOHYYCGT-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.97
Rot. Bonds4

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide (PubChem CID 15990296) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide
PubChem CID15990296
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O4/c1-23-17-12-15(22-20(26)14-6-4-5-7-19(14)28-3)16(25-8-10-29-11-9-25)13-18(17)24(2)21(23)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKeySMPYLMAOHYYCGT-UHFFFAOYSA-N
XLogP1.97
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pfi-4
CID 40642506
N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-2-Methoxy-Benzamide
CID 121232405
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
CID 15990224
4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-N-Ethyl-2-Methoxy-Benzamide
CID 121232406
2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2361470
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-methoxy-benzamide
CID 2988057
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 6459725
4-Allyloxy-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-benzamide
CID 6472813
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxybenzamide
CID 3142183
2-methoxy-N-[3-(morpholin-4-ylcarbonyl)phenyl]benzamide
CID 2996815

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide (CID 15990296) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide?
The InChIKey is SMPYLMAOHYYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-23-17-12-15(22-20(26)14-6-4-5-7-19(14)28-3)16(25-8-10-29-11-9-25)13-18(17)24(2)21(23)27/h4-7,12-13H,8-11H2,1-3H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide has a molecular weight of 396.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methoxybenzamide is sourced from PubChem (CID 15990296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).