4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide

C20H20N4O3 — CID 49418952

IUPAC4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
SMILESCc1nc2cc(C(=O)N3CCOC(C(N)=O)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-13-22-16-11-14(20(26)23-9-10-27-18(12-23)19(21)25)7-8-17(16)24(13)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12H2,1H3,(H2,21,25)
InChIKeyFOUWZKDIUBJGEM-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.66
Rot. Bonds3

About 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide

4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide (PubChem CID 49418952) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
PubChem CID49418952
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
SMILESCc1nc2cc(C(=O)N3CCOC(C(N)=O)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-13-22-16-11-14(20(26)23-9-10-27-18(12-23)19(21)25)7-8-17(16)24(13)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12H2,1H3,(H2,21,25)
InChIKeyFOUWZKDIUBJGEM-UHFFFAOYSA-N
XLogP1.66
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 97324649
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;dihydrochloride
CID 120656617
[3-[4-(aminomethyl)triazol-1-yl]pyrrolidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 166398435
(2S)-4-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)morpholine-2-carboxamide
CID 94371459
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 46651328
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
(2S)-4-(1-methylbenzotriazole-5-carbonyl)morpholine-2-carboxylic acid
CID 125120375

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide (CID 49418952) is 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide is Cc1nc2cc(C(=O)N3CCOC(C(N)=O)C3)ccc2n1-c1ccccc1.
What is the InChIKey of 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is FOUWZKDIUBJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-22-16-11-14(20(26)23-9-10-27-18(12-23)19(21)25)7-8-17(16)24(13)15-5-3-2-4-6-15/h2-8,11,18H,9-10,12H2,1H3,(H2,21,25).
What are the key properties of 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide?
4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 49418952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).