5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol

C23H18N4O2 — CID 123724514

IUPAC5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol
SMILESNc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H18N4O2/c24-22-21(23-25-16-10-4-5-11-17(16)26-23)19(28)14-27(22)18-12-6-7-13-20(18)29-15-8-2-1-3-9-15/h1-14,28H,24H2,(H,25,26)
InChIKeyZVXFLSHRGBDKTG-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.10
Rot. Bonds4

About 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol

5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol (PubChem CID 123724514) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol.

Molecular Properties

Compound Name5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol
PubChem CID123724514
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol
SMILESNc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H18N4O2/c24-22-21(23-25-16-10-4-5-11-17(16)26-23)19(28)14-27(22)18-12-6-7-13-20(18)29-15-8-2-1-3-9-15/h1-14,28H,24H2,(H,25,26)
InChIKeyZVXFLSHRGBDKTG-UHFFFAOYSA-N
XLogP5.10
TPSA89.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol
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5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol
CID 123541462
5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol
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3-[4-(1H-benzimidazol-2-yl)phenoxy]-4-[2-[4-(1H-benzimidazol-2-yl)phenoxy]-4-hydroxyphenyl]phenol
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5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(methoxymethyl)pyrrol-3-ol
CID 123393361
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
methyl 5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrole-2-carboxylate
CID 123409809
2-phenyl-1H-benzimidazole;zinc
CID 174639851
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide
CID 123940523

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol?
The IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol (CID 123724514) is 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol.
What is the SMILES notation for 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol?
The canonical SMILES for 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol is Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccccc1Oc1ccccc1.
What is the InChIKey of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol?
The InChIKey is ZVXFLSHRGBDKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-22-21(23-25-16-10-4-5-11-17(16)26-23)19(28)14-27(22)18-12-6-7-13-20(18)29-15-8-2-1-3-9-15/h1-14,28H,24H2,(H,25,26).
What are the key properties of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol?
5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol has a molecular weight of 382.42 g/mol, XLogP of 5.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol is sourced from PubChem (CID 123724514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).