6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine

C25H18N6O — CID 167428582

IUPAC6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine
SMILESc1ccc(Oc2ccc3nc(Nc4c[nH]c5c(-c6cccnc6)ccnc45)[nH]c3c2)cc1
InChIInChI=1S/C25H18N6O/c1-2-6-17(7-3-1)32-18-8-9-20-21(13-18)30-25(29-20)31-22-15-28-23-19(10-12-27-24(22)23)16-5-4-11-26-14-16/h1-15,28H,(H2,29,30,31)
InChIKeyRXHSMVGIQCFNQE-UHFFFAOYSA-N
MW418.46 g/mol
LogP6.04
Rot. Bonds5

About 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine

6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine (PubChem CID 167428582) has the molecular formula C25H18N6O and a molecular weight of 418.46 g/mol. Its IUPAC name is 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine
PubChem CID167428582
Molecular FormulaC25H18N6O
Molecular Weight418.46 g/mol
Exact Mass418.15
IUPAC Name6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine
SMILESc1ccc(Oc2ccc3nc(Nc4c[nH]c5c(-c6cccnc6)ccnc45)[nH]c3c2)cc1
InChIInChI=1S/C25H18N6O/c1-2-6-17(7-3-1)32-18-8-9-20-21(13-18)30-25(29-20)31-22-15-28-23-19(10-12-27-24(22)23)16-5-4-11-26-14-16/h1-15,28H,(H2,29,30,31)
InChIKeyRXHSMVGIQCFNQE-UHFFFAOYSA-N
XLogP6.04
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine
CID 167428698
N-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865217
N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865205
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-[3-(dimethylamino)phenoxy]-1H-benzimidazol-2-amine
CID 167428561
4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037145
1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
CID 157132919
6-prop-2-ynoxy-2-pyridin-3-yl-1H-benzimidazole
CID 84816420
N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen
CID 159099753
2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 22041257
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[[2-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-1H-benzimidazol-2-amine
CID 143424823
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 11155078
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine (CID 167428582) is 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine is c1ccc(Oc2ccc3nc(Nc4c[nH]c5c(-c6cccnc6)ccnc45)[nH]c3c2)cc1.
What is the InChIKey of 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine?
The InChIKey is RXHSMVGIQCFNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O/c1-2-6-17(7-3-1)32-18-8-9-20-21(13-18)30-25(29-20)31-22-15-28-23-19(10-12-27-24(22)23)16-5-4-11-26-14-16/h1-15,28H,(H2,29,30,31).
What are the key properties of 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine?
6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine has a molecular weight of 418.46 g/mol, XLogP of 6.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 167428582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).