4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide

C20H16N4O2 — CID 1160309

IUPAC4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C20H16N4O2/c21-13-7-5-12(6-8-13)20(26)22-14-9-10-18(25)15(11-14)19-23-16-3-1-2-4-17(16)24-19/h1-11,25H,21H2,(H,22,26)(H,23,24)
InChIKeyBYOZAJBNWIUZAH-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.77
Rot. Bonds3

About 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide

4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide (PubChem CID 1160309) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
PubChem CID1160309
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C20H16N4O2/c21-13-7-5-12(6-8-13)20(26)22-14-9-10-18(25)15(11-14)19-23-16-3-1-2-4-17(16)24-19/h1-11,25H,21H2,(H,22,26)(H,23,24)
InChIKeyBYOZAJBNWIUZAH-UHFFFAOYSA-N
XLogP3.77
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 70967039
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 110162739
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-4-methylnaphthalene-1-carboxamide
CID 1213552

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide?
The IUPAC name of 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide (CID 1160309) is 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide?
The InChIKey is BYOZAJBNWIUZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-13-7-5-12(6-8-13)20(26)22-14-9-10-18(25)15(11-14)19-23-16-3-1-2-4-17(16)24-19/h1-11,25H,21H2,(H,22,26)(H,23,24).
What are the key properties of 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide?
4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1H-benzimidazol-2-yl)-4-hydroxyphenyl]benzamide is sourced from PubChem (CID 1160309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).