5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol

C20H20N4O3 — CID 123541462

IUPAC5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol
SMILESCOc1ccc(OC)c(-n2cc(O)c(-c3nc4c(C)cccc4[nH]3)c2N)c1
InChIInChI=1S/C20H20N4O3/c1-11-5-4-6-13-18(11)23-20(22-13)17-15(25)10-24(19(17)21)14-9-12(26-2)7-8-16(14)27-3/h4-10,25H,21H2,1-3H3,(H,22,23)
InChIKeyCAPNQMMFDHVHLT-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.63
Rot. Bonds4

About 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol

5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol (PubChem CID 123541462) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol.

Molecular Properties

Compound Name5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol
PubChem CID123541462
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol
SMILESCOc1ccc(OC)c(-n2cc(O)c(-c3nc4c(C)cccc4[nH]3)c2N)c1
InChIInChI=1S/C20H20N4O3/c1-11-5-4-6-13-18(11)23-20(22-13)17-15(25)10-24(19(17)21)14-9-12(26-2)7-8-16(14)27-3/h4-10,25H,21H2,1-3H3,(H,22,23)
InChIKeyCAPNQMMFDHVHLT-UHFFFAOYSA-N
XLogP3.63
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol?
The IUPAC name of 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol (CID 123541462) is 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol.
What is the SMILES notation for 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol?
The canonical SMILES for 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol is COc1ccc(OC)c(-n2cc(O)c(-c3nc4c(C)cccc4[nH]3)c2N)c1.
What is the InChIKey of 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol?
The InChIKey is CAPNQMMFDHVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11-5-4-6-13-18(11)23-20(22-13)17-15(25)10-24(19(17)21)14-9-12(26-2)7-8-16(14)27-3/h4-10,25H,21H2,1-3H3,(H,22,23).
What are the key properties of 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol?
5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol has a molecular weight of 364.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol is sourced from PubChem (CID 123541462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).