2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid

C21H21N3O4 — CID 97324649

IUPAC2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nc2cc(C(=O)N3CCO[C@H](CC(=O)O)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H21N3O4/c1-14-22-18-11-15(7-8-19(18)24(14)16-5-3-2-4-6-16)21(27)23-9-10-28-17(13-23)12-20(25)26/h2-8,11,17H,9-10,12-13H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyPHDFTYYPTFYMEY-QGZVFWFLSA-N
MW379.42 g/mol
LogP2.65
Rot. Bonds4

About 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 97324649) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
PubChem CID97324649
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nc2cc(C(=O)N3CCO[C@H](CC(=O)O)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H21N3O4/c1-14-22-18-11-15(7-8-19(18)24(14)16-5-3-2-4-6-16)21(27)23-9-10-28-17(13-23)12-20(25)26/h2-8,11,17H,9-10,12-13H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyPHDFTYYPTFYMEY-QGZVFWFLSA-N
XLogP2.65
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholine-2-carboxamide
CID 49418952
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 25467592
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 119637364
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
[(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
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804
[3-[4-(aminomethyl)triazol-1-yl]pyrrolidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 166398435
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid (CID 97324649) is 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid is Cc1nc2cc(C(=O)N3CCO[C@H](CC(=O)O)C3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is PHDFTYYPTFYMEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-22-18-11-15(7-8-19(18)24(14)16-5-3-2-4-6-16)21(27)23-9-10-28-17(13-23)12-20(25)26/h2-8,11,17H,9-10,12-13H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 379.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 97324649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).