N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide

C19H21N3O3 — CID 94809037

IUPACN-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCOc1ccc([C@H](O)CNC(=O)c2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C19H21N3O3/c1-12-21-16-10-14(6-9-17(16)22(12)2)19(24)20-11-18(23)13-4-7-15(25-3)8-5-13/h4-10,18,23H,11H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyKNWYHNFYZMGQGA-GOSISDBHSA-N
MW339.40 g/mol
LogP2.35
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 94809037) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID94809037
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCOc1ccc([C@H](O)CNC(=O)c2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C19H21N3O3/c1-12-21-16-10-14(6-9-17(16)22(12)2)19(24)20-11-18(23)13-4-7-15(25-3)8-5-13/h4-10,18,23H,11H2,1-3H3,(H,20,24)/t18-/m1/s1
InChIKeyKNWYHNFYZMGQGA-GOSISDBHSA-N
XLogP2.35
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-[2-cyclopropyl-2-[(1,2-dimethylbenzimidazole-5-carbonyl)amino]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 60613963
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 110785967
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110900448
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-(2,2-dimethoxyethyl)-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
CID 4087961
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 94809037) is N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide is COc1ccc([C@H](O)CNC(=O)c2ccc3c(c2)nc(C)n3C)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is KNWYHNFYZMGQGA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-21-16-10-14(6-9-17(16)22(12)2)19(24)20-11-18(23)13-4-7-15(25-3)8-5-13/h4-10,18,23H,11H2,1-3H3,(H,20,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 94809037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).