(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide

C19H21N3O3 — CID 99936083

IUPAC(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide
SMILESCc1nc2ccc(CNC(=O)[C@H](O)COc3ccccc3C)cc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-12-5-3-4-6-18(12)25-11-17(23)19(24)20-10-14-7-8-15-16(9-14)22-13(2)21-15/h3-9,17,23H,10-11H2,1-2H3,(H,20,24)(H,21,22)/t17-/m1/s1
InChIKeyFONWEAYPCLGDPH-QGZVFWFLSA-N
MW339.40 g/mol
LogP2.24
Rot. Bonds6

About (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide

(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide (PubChem CID 99936083) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide
PubChem CID99936083
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide
SMILESCc1nc2ccc(CNC(=O)[C@H](O)COc3ccccc3C)cc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-12-5-3-4-6-18(12)25-11-17(23)19(24)20-10-14-7-8-15-16(9-14)22-13(2)21-15/h3-9,17,23H,10-11H2,1-2H3,(H,20,24)(H,21,22)/t17-/m1/s1
InChIKeyFONWEAYPCLGDPH-QGZVFWFLSA-N
XLogP2.24
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
(2S)-2-hydroxy-3-(2-methylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125161906
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
CID 99987005
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
2-(2-aminoethoxy)-4-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzamide
CID 118763514
2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785663
1-(hydroxymethyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 115182270
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
1-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 163312396
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide (CID 99936083) is (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide is Cc1nc2ccc(CNC(=O)[C@H](O)COc3ccccc3C)cc2[nH]1.
What is the InChIKey of (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is FONWEAYPCLGDPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-5-3-4-6-18(12)25-11-17(23)19(24)20-10-14-7-8-15-16(9-14)22-13(2)21-15/h3-9,17,23H,10-11H2,1-2H3,(H,20,24)(H,21,22)/t17-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide?
(2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 99936083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).