(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide

C17H22N4O2 — CID 166238515

IUPAC(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C17H22N4O2/c1-10-15(18-7-8-23-10)17(22)19-12-5-6-14-13(9-12)20-16(21(14)2)11-3-4-11/h5-6,9-11,15,18H,3-4,7-8H2,1-2H3,(H,19,22)/t10-,15+/m1/s1
InChIKeyMOJTZTPORSTQJC-BMIGLBTASA-N
MW314.39 g/mol
LogP1.77
Rot. Bonds3

About (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide (PubChem CID 166238515) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
PubChem CID166238515
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C17H22N4O2/c1-10-15(18-7-8-23-10)17(22)19-12-5-6-14-13(9-12)20-16(21(14)2)11-3-4-11/h5-6,9-11,15,18H,3-4,7-8H2,1-2H3,(H,19,22)/t10-,15+/m1/s1
InChIKeyMOJTZTPORSTQJC-BMIGLBTASA-N
XLogP1.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 120938679
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-(1-propan-2-ylindazol-6-yl)morpholine-3-carboxamide
CID 120928646
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide
CID 75393659
(2R,3S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 120940198
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993673
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 75392653
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide (CID 166238515) is (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide?
The InChIKey is MOJTZTPORSTQJC-BMIGLBTASA-N. The full InChI is InChI=1S/C17H22N4O2/c1-10-15(18-7-8-23-10)17(22)19-12-5-6-14-13(9-12)20-16(21(14)2)11-3-4-11/h5-6,9-11,15,18H,3-4,7-8H2,1-2H3,(H,19,22)/t10-,15+/m1/s1.
What are the key properties of (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 166238515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).