5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol

C22H24N4O2 — CID 123397524

IUPAC5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol
SMILESCOc1ccc(C(C)(C)C)c(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)14-10-9-13(28-4)11-17(14)26-12-18(27)19(20(26)23)21-24-15-7-5-6-8-16(15)25-21/h5-12,27H,23H2,1-4H3,(H,24,25)
InChIKeyHACHADKJXLHILS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.61
Rot. Bonds3

About 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol

5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol (PubChem CID 123397524) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol.

Molecular Properties

Compound Name5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol
PubChem CID123397524
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol
SMILESCOc1ccc(C(C)(C)C)c(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)14-10-9-13(28-4)11-17(14)26-12-18(27)19(20(26)23)21-24-15-7-5-6-8-16(15)25-21/h5-12,27H,23H2,1-4H3,(H,24,25)
InChIKeyHACHADKJXLHILS-UHFFFAOYSA-N
XLogP4.61
TPSA89.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol
CID 123423759
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5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol
CID 123541462
5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol
CID 123333781
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol
CID 123616598
5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(methoxymethyl)pyrrol-3-ol
CID 123393361
methyl 5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrole-2-carboxylate
CID 123409809
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide
CID 123940523
2-amino-3-(1H-benzimidazol-2-yl)-7-methoxychromen-4-one
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2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol?
The IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol (CID 123397524) is 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol.
What is the SMILES notation for 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol?
The canonical SMILES for 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol is COc1ccc(C(C)(C)C)c(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c1.
What is the InChIKey of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol?
The InChIKey is HACHADKJXLHILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)14-10-9-13(28-4)11-17(14)26-12-18(27)19(20(26)23)21-24-15-7-5-6-8-16(15)25-21/h5-12,27H,23H2,1-4H3,(H,24,25).
What are the key properties of 5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol?
5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol has a molecular weight of 376.46 g/mol, XLogP of 4.61, 3 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-tert-butyl-5-methoxyphenyl)pyrrol-3-ol is sourced from PubChem (CID 123397524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).