N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

C19H21N3O3 — CID 71910177

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-13(25-15-6-4-5-14(11-15)12-23)19(24)20-10-9-18-21-16-7-2-3-8-17(16)22-18/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyXCGPNNDCBNCAJA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.18
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 71910177) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID71910177
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-13(25-15-6-4-5-14(11-15)12-23)19(24)20-10-9-18-21-16-7-2-3-8-17(16)22-18/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,24)(H,21,22)
InChIKeyXCGPNNDCBNCAJA-UHFFFAOYSA-N
XLogP2.18
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
CID 134032853
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388958
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 109388909
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388998
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethyl-2-[2-(3-methoxyphenoxy)propyl]guanidine
CID 111679252
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 71910177) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is XCGPNNDCBNCAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(25-15-6-4-5-14(11-15)12-23)19(24)20-10-9-18-21-16-7-2-3-8-17(16)22-18/h2-8,11,13,23H,9-10,12H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 71910177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).