N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide

C20H22N4O2 — CID 119800639

IUPACN-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide
SMILESCc1ccc(-n2c(NC(=O)C3CNCCO3)nc3cc(C)ccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-13-3-6-15(7-4-13)24-17-8-5-14(2)11-16(17)22-20(24)23-19(25)18-12-21-9-10-26-18/h3-8,11,18,21H,9-10,12H2,1-2H3,(H,22,23,25)
InChIKeyXEAHCIRSYQQGNK-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.57
Rot. Bonds3

About N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide

N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide (PubChem CID 119800639) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide
PubChem CID119800639
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide
SMILESCc1ccc(-n2c(NC(=O)C3CNCCO3)nc3cc(C)ccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-13-3-6-15(7-4-13)24-17-8-5-14(2)11-16(17)22-20(24)23-19(25)18-12-21-9-10-26-18/h3-8,11,18,21H,9-10,12H2,1-2H3,(H,22,23,25)
InChIKeyXEAHCIRSYQQGNK-UHFFFAOYSA-N
XLogP2.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(2-fluoro-4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675290
N-[2-(methanesulfonamido)-5-methylphenyl]morpholine-2-carboxamide
CID 119802655
N-[1-(3-phenylpropyl)benzimidazol-2-yl]morpholine-2-carboxamide
CID 119770764
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119677147
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 114052865
(2R)-N-(1-phenylbenzimidazol-2-yl)-1,4-dioxane-2-carboxamide
CID 94103538
N-(1,2-oxazol-3-yl)morpholine-2-carboxamide
CID 62903772
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]morpholine-2-carboxamide
CID 119700062

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide (CID 119800639) is N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide is Cc1ccc(-n2c(NC(=O)C3CNCCO3)nc3cc(C)ccc32)cc1.
What is the InChIKey of N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide?
The InChIKey is XEAHCIRSYQQGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-3-6-15(7-4-13)24-17-8-5-14(2)11-16(17)22-20(24)23-19(25)18-12-21-9-10-26-18/h3-8,11,18,21H,9-10,12H2,1-2H3,(H,22,23,25).
What are the key properties of N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide?
N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-(4-methylphenyl)benzimidazol-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119800639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).