2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide

C23H21N3O3 — CID 99139728

IUPAC2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c27-15-22-25-20-8-4-5-9-21(20)26(22)14-23(28)24-18-10-12-19(13-11-18)29-16-17-6-2-1-3-7-17/h1-13,27H,14-16H2,(H,24,28)
InChIKeyDBXNPKLPKBFTMR-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.75
Rot. Bonds7

About 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide

2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 99139728) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID99139728
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c27-15-22-25-20-8-4-5-9-21(20)26(22)14-23(28)24-18-10-12-19(13-11-18)29-16-17-6-2-1-3-7-17/h1-13,27H,14-16H2,(H,24,28)
InChIKeyDBXNPKLPKBFTMR-UHFFFAOYSA-N
XLogP3.75
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
2-(2-ethylbenzimidazol-1-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55855526
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 17032358
N-(6-methoxy-3-pyridinyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 8001739
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
2-(2-ethylbenzimidazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46674253
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide (CID 99139728) is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide is O=C(Cn1c(CO)nc2ccccc21)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is DBXNPKLPKBFTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-15-22-25-20-8-4-5-9-21(20)26(22)14-23(28)24-18-10-12-19(13-11-18)29-16-17-6-2-1-3-7-17/h1-13,27H,14-16H2,(H,24,28).
What are the key properties of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide?
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 99139728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).