2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol

C20H15N7O — CID 155251551

IUPAC2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol
SMILESOC1(c2ccccn2)N=C(Nc2nc3ccccc3[nH]2)N=C1c1ccccn1
InChIInChI=1S/C20H15N7O/c28-20(16-10-4-6-12-22-16)17(15-9-3-5-11-21-15)25-19(27-20)26-18-23-13-7-1-2-8-14(13)24-18/h1-12,28H,(H2,23,24,26,27)
InChIKeyLISYJRDUNUJMBX-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.47
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol

2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol (PubChem CID 155251551) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol
PubChem CID155251551
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC Name2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol
SMILESOC1(c2ccccn2)N=C(Nc2nc3ccccc3[nH]2)N=C1c1ccccn1
InChIInChI=1S/C20H15N7O/c28-20(16-10-4-6-12-22-16)17(15-9-3-5-11-21-15)25-19(27-20)26-18-23-13-7-1-2-8-14(13)24-18/h1-12,28H,(H2,23,24,26,27)
InChIKeyLISYJRDUNUJMBX-UHFFFAOYSA-N
XLogP2.47
TPSA111.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-benzimidazol-2-yl)-N-[2-(1H-benzimidazol-2-ylamino)-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazol-5-yl]hydroxylamine
CID 163453285
dizinc;bis((3aS,6aS)-2-N,5-N-bis(1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine);molecular hydrogen
CID 159550655
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-[[5-[(6-carboxy-1H-benzimidazol-2-yl)amino]-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazol-2-yl]amino]-3H-benzimidazole-5-carboxylic acid
CID 57181686
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
N-(1H-benzimidazol-2-yl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
CID 71607470
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-[4-[(3-methyl-2-pyridinyl)oxy]phenyl]-1H-benzimidazol-2-amine
CID 59327050

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol (CID 155251551) is 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol is OC1(c2ccccn2)N=C(Nc2nc3ccccc3[nH]2)N=C1c1ccccn1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol?
The InChIKey is LISYJRDUNUJMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c28-20(16-10-4-6-12-22-16)17(15-9-3-5-11-21-15)25-19(27-20)26-18-23-13-7-1-2-8-14(13)24-18/h1-12,28H,(H2,23,24,26,27).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol?
2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol has a molecular weight of 369.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-4,5-dipyridin-2-ylimidazol-4-ol is sourced from PubChem (CID 155251551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).