(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide

C22H26N4O2 — CID 95194564

IUPAC(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H26N4O2/c1-16-14-25(15-21(28-16)18-8-4-3-5-9-18)22(27)23-12-13-26-17(2)24-19-10-6-7-11-20(19)26/h3-11,16,21H,12-15H2,1-2H3,(H,23,27)/t16-,21-/m1/s1
InChIKeyNADNANYQNPKCKQ-IIBYNOLFSA-N
MW378.48 g/mol
LogP3.52
Rot. Bonds4

About (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide

(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide (PubChem CID 95194564) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide
PubChem CID95194564
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H26N4O2/c1-16-14-25(15-21(28-16)18-8-4-3-5-9-18)22(27)23-12-13-26-17(2)24-19-10-6-7-11-20(19)26/h3-11,16,21H,12-15H2,1-2H3,(H,23,27)/t16-,21-/m1/s1
InChIKeyNADNANYQNPKCKQ-IIBYNOLFSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 78887670
(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
CID 95195537
4-(2-amino-2-oxoethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 56814187
3-(hydroxymethyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443524
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805
2-(cyclopropylmethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 61273474
N-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazole-1-carboxamide
CID 81257871
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124885588
(2R)-1-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 94516578

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide (CID 95194564) is (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide is Cc1nc2ccccc2n1CCNC(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide?
The InChIKey is NADNANYQNPKCKQ-IIBYNOLFSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-14-25(15-21(28-16)18-8-4-3-5-9-18)22(27)23-12-13-26-17(2)24-19-10-6-7-11-20(19)26/h3-11,16,21H,12-15H2,1-2H3,(H,23,27)/t16-,21-/m1/s1.
What are the key properties of (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide?
(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 95194564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).