5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol

C18H17N5O3 — CID 123423759

IUPAC5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol
SMILESCOc1cc(OC)nc(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c1
InChIInChI=1S/C18H17N5O3/c1-25-10-7-14(22-15(8-10)26-2)23-9-13(24)16(17(23)19)18-20-11-5-3-4-6-12(11)21-18/h3-9,24H,19H2,1-2H3,(H,20,21)
InChIKeyAWNJFQWKWTZNAH-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.72
Rot. Bonds4

About 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol

5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol (PubChem CID 123423759) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol.

Molecular Properties

Compound Name5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol
PubChem CID123423759
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol
SMILESCOc1cc(OC)nc(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c1
InChIInChI=1S/C18H17N5O3/c1-25-10-7-14(22-15(8-10)26-2)23-9-13(24)16(17(23)19)18-20-11-5-3-4-6-12(11)21-18/h3-9,24H,19H2,1-2H3,(H,20,21)
InChIKeyAWNJFQWKWTZNAH-UHFFFAOYSA-N
XLogP2.72
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(methoxymethyl)pyrrol-3-ol
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4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-(methylamino)pyrrol-3-ol
CID 123675902
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol?
The IUPAC name of 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol (CID 123423759) is 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol.
What is the SMILES notation for 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol?
The canonical SMILES for 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol is COc1cc(OC)nc(-n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)c1.
What is the InChIKey of 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol?
The InChIKey is AWNJFQWKWTZNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-25-10-7-14(22-15(8-10)26-2)23-9-13(24)16(17(23)19)18-20-11-5-3-4-6-12(11)21-18/h3-9,24H,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol?
5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol has a molecular weight of 351.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol is sourced from PubChem (CID 123423759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).