(2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide

C20H22N4O2 — CID 120940274

IUPAC(2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-14-19(21-10-11-26-14)20(25)23-16-8-6-15(7-9-16)12-24-13-22-17-4-2-3-5-18(17)24/h2-9,13-14,19,21H,10-12H2,1H3,(H,23,25)/t14-,19+/m1/s1
InChIKeyBELOBTYBEARUHZ-KUHUBIRLSA-N
MW350.42 g/mol
LogP2.40
Rot. Bonds4

About (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120940274) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120940274
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-14-19(21-10-11-26-14)20(25)23-16-8-6-15(7-9-16)12-24-13-22-17-4-2-3-5-18(17)24/h2-9,13-14,19,21H,10-12H2,1H3,(H,23,25)/t14-,19+/m1/s1
InChIKeyBELOBTYBEARUHZ-KUHUBIRLSA-N
XLogP2.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[4-(acetamidomethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120931899
(2R,3S)-2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120927680
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805
(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937933
(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939459
(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917220
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
(2R,3S)-2-methyl-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]morpholine-3-carboxamide
CID 120924189
(3R)-N-[3-(benzimidazol-1-ylmethyl)phenyl]oxolane-3-carboxamide
CID 95617946

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide (CID 120940274) is (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is BELOBTYBEARUHZ-KUHUBIRLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-19(21-10-11-26-14)20(25)23-16-8-6-15(7-9-16)12-24-13-22-17-4-2-3-5-18(17)24/h2-9,13-14,19,21H,10-12H2,1H3,(H,23,25)/t14-,19+/m1/s1.
What are the key properties of (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(benzimidazol-1-ylmethyl)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120940274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).