7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine

C22H20N6O — CID 167428698

IUPAC7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine
SMILESCN(C)c1ccnc2c(Nc3nc4ccc(Oc5ccccc5)cc4[nH]3)c[nH]c12
InChIInChI=1S/C22H20N6O/c1-28(2)19-10-11-23-20-18(13-24-21(19)20)27-22-25-16-9-8-15(12-17(16)26-22)29-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H2,25,26,27)
InChIKeyIPWAZZVQMJYRBP-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.04
Rot. Bonds5

About 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine

7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine (PubChem CID 167428698) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine.

Molecular Properties

Compound Name7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine
PubChem CID167428698
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine
SMILESCN(C)c1ccnc2c(Nc3nc4ccc(Oc5ccccc5)cc4[nH]3)c[nH]c12
InChIInChI=1S/C22H20N6O/c1-28(2)19-10-11-23-20-18(13-24-21(19)20)27-22-25-16-9-8-15(12-17(16)26-22)29-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H2,25,26,27)
InChIKeyIPWAZZVQMJYRBP-UHFFFAOYSA-N
XLogP5.04
TPSA81.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine with MolForge

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Related Compounds

6-phenoxy-N-(7-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)-1H-benzimidazol-2-amine
CID 167428582
N-(5-bromo-1H-pyrrolo[3,2-b]pyridin-3-yl)-6-[3-(dimethylamino)phenoxy]-1H-benzimidazol-2-amine
CID 167428561
N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865205
N-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865217
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
2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 22041257
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 11155078
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-[1-[(4-phenoxyphenyl)methoxy]ethyl]-1H-benzimidazol-2-amine
CID 69291692
4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile
CID 1470989

Frequently Asked Questions

What is the IUPAC name of 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine?
The IUPAC name of 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine (CID 167428698) is 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine.
What is the SMILES notation for 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine?
The canonical SMILES for 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine is CN(C)c1ccnc2c(Nc3nc4ccc(Oc5ccccc5)cc4[nH]3)c[nH]c12.
What is the InChIKey of 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine?
The InChIKey is IPWAZZVQMJYRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-28(2)19-10-11-23-20-18(13-24-21(19)20)27-22-25-16-9-8-15(12-17(16)26-22)29-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H2,25,26,27).
What are the key properties of 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine?
7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine has a molecular weight of 384.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,7-N-dimethyl-3-N-(6-phenoxy-1H-benzimidazol-2-yl)-1H-pyrrolo[3,2-b]pyridine-3,7-diamine is sourced from PubChem (CID 167428698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).