N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide

C22H20N4O3 — CID 174556565

IUPACN-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCC(NC(=O)c1cccc2[nH]c(-c3cccnc3)nc12)C(O)c1ccc(O)cc1
InChIInChI=1S/C22H20N4O3/c1-13(20(28)14-7-9-16(27)10-8-14)24-22(29)17-5-2-6-18-19(17)26-21(25-18)15-4-3-11-23-12-15/h2-13,20,27-28H,1H3,(H,24,29)(H,25,26)
InChIKeyQDCQZRKFSVLLFJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.18
Rot. Bonds5

About N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide

N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide (PubChem CID 174556565) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
PubChem CID174556565
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
SMILESCC(NC(=O)c1cccc2[nH]c(-c3cccnc3)nc12)C(O)c1ccc(O)cc1
InChIInChI=1S/C22H20N4O3/c1-13(20(28)14-7-9-16(27)10-8-14)24-22(29)17-5-2-6-18-19(17)26-21(25-18)15-4-3-11-23-12-15/h2-13,20,27-28H,1H3,(H,24,29)(H,25,26)
InChIKeyQDCQZRKFSVLLFJ-UHFFFAOYSA-N
XLogP3.18
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide (CID 174556565) is N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide is CC(NC(=O)c1cccc2[nH]c(-c3cccnc3)nc12)C(O)c1ccc(O)cc1.
What is the InChIKey of N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is QDCQZRKFSVLLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13(20(28)14-7-9-16(27)10-8-14)24-22(29)17-5-2-6-18-19(17)26-21(25-18)15-4-3-11-23-12-15/h2-13,20,27-28H,1H3,(H,24,29)(H,25,26).
What are the key properties of N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide?
N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 174556565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).