2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide

C18H19N3O2 — CID 4882839

IUPAC2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-13-17-20-15-8-4-5-9-16(15)21(17)12-18(23)19-11-10-14-6-2-1-3-7-14/h1-9,22H,10-13H2,(H,19,23)
InChIKeyZECXQCFUUUSPPY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide

2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 4882839) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID4882839
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-13-17-20-15-8-4-5-9-16(15)21(17)12-18(23)19-11-10-14-6-2-1-3-7-14/h1-9,22H,10-13H2,(H,19,23)
InChIKeyZECXQCFUUUSPPY-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tanogitran
CID 9826322
3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide
CID 6918876
N-hydroxy-3-[2-phenethyl-1-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-5-yl]acrylamide
CID 6918877
2-(2-phenyl-1H-1,3-benzodiazol-1-yl)acetic acid
CID 619876
(2-Benzyl-1H-benzimidazol-1-yl)acetic acid
CID 622352
3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol
CID 2872475
Pyrrol-3(2H)-one, 5-amino-1-benzyl)-4-(1-methyl-2-benzimidazolyl)-
CID 135519505
Azd-1386
CID 23633673
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
(1-(2,5-dimethylbenzyl)-1H-benzo[d]imidazol-2-yl)methanol
CID 962431
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
CID 44454877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (CID 4882839) is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1c(CO)nc2ccccc21)NCCc1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZECXQCFUUUSPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-13-17-20-15-8-4-5-9-16(15)21(17)12-18(23)19-11-10-14-6-2-1-3-7-14/h1-9,22H,10-13H2,(H,19,23).
What are the key properties of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4882839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).