2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone

C26H21N5O3 — CID 58190998

IUPAC2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone
SMILESO=C(Cc1nc2c(C(=O)Cc3ncc[nH]3)cccc2[nH]1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C26H21N5O3/c32-22(13-24-27-11-12-28-24)19-7-4-8-21-26(19)31-25(30-21)14-23(33)20-10-9-18(15-29-20)34-16-17-5-2-1-3-6-17/h1-12,15H,13-14,16H2,(H,27,28)(H,30,31)
InChIKeySLIMBYPONVSFGV-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.11
Rot. Bonds9

About 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone

2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone (PubChem CID 58190998) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone
PubChem CID58190998
Molecular FormulaC26H21N5O3
Molecular Weight451.49 g/mol
Exact Mass451.16
IUPAC Name2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone
SMILESO=C(Cc1nc2c(C(=O)Cc3ncc[nH]3)cccc2[nH]1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C26H21N5O3/c32-22(13-24-27-11-12-28-24)19-7-4-8-21-26(19)31-25(30-21)14-23(33)20-10-9-18(15-29-20)34-16-17-5-2-1-3-6-17/h1-12,15H,13-14,16H2,(H,27,28)(H,30,31)
InChIKeySLIMBYPONVSFGV-UHFFFAOYSA-N
XLogP4.11
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
CID 58026672
2-(1H-indazol-5-yl)-1-[2-(2-isoquinolin-3-yl-2-oxoethyl)-1H-benzimidazol-4-yl]ethanone
CID 58190761
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
2-[2-(4-phenylmethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid;phosphoric acid
CID 70419392
N-[4-(1H-imidazol-2-ylcarbamoyl)-6-phenylmethoxy-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026502
1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
CID 162221142
2-benzyl-1H-benzimidazole-4-carboxamide
CID 154521483
2-benzyl-1H-benzimidazole-4-carbonyl chloride
CID 54137883
phosphono 2-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate
CID 70419390
trans-(1R,2R)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082415
cis-(1R,2S)-N-(1H-imidazol-2-ylmethyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 97082416
methyl 2-(2-phenylethyl)-1H-benzimidazole-4-carboxylate
CID 115357526

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone (CID 58190998) is 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone is O=C(Cc1nc2c(C(=O)Cc3ncc[nH]3)cccc2[nH]1)c1ccc(OCc2ccccc2)cn1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone?
The InChIKey is SLIMBYPONVSFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c32-22(13-24-27-11-12-28-24)19-7-4-8-21-26(19)31-25(30-21)14-23(33)20-10-9-18(15-29-20)34-16-17-5-2-1-3-6-17/h1-12,15H,13-14,16H2,(H,27,28)(H,30,31).
What are the key properties of 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone?
2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone has a molecular weight of 451.49 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone is sourced from PubChem (CID 58190998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).