5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one

C26H25N7O — CID 177185213

IUPAC5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(-c3nc4c(N(C)C)nccc4n3-c3ccc4c(c3)n(C)c(=O)n4C)c[nH]c2c1
InChIInChI=1S/C26H25N7O/c1-15-6-8-17-18(14-28-19(17)12-15)24-29-23-21(10-11-27-25(23)30(2)3)33(24)16-7-9-20-22(13-16)32(5)26(34)31(20)4/h6-14,28H,1-5H3
InChIKeyHLSZKHCDGOZVGH-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.13
Rot. Bonds3

About 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one

5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 177185213) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one
PubChem CID177185213
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(-c3nc4c(N(C)C)nccc4n3-c3ccc4c(c3)n(C)c(=O)n4C)c[nH]c2c1
InChIInChI=1S/C26H25N7O/c1-15-6-8-17-18(14-28-19(17)12-15)24-29-23-21(10-11-27-25(23)30(2)3)33(24)16-7-9-20-22(13-16)32(5)26(34)31(20)4/h6-14,28H,1-5H3
InChIKeyHLSZKHCDGOZVGH-UHFFFAOYSA-N
XLogP4.13
TPSA76.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one (CID 177185213) is 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one is Cc1ccc2c(-c3nc4c(N(C)C)nccc4n3-c3ccc4c(c3)n(C)c(=O)n4C)c[nH]c2c1.
What is the InChIKey of 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is HLSZKHCDGOZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-15-6-8-17-18(14-28-19(17)12-15)24-29-23-21(10-11-27-25(23)30(2)3)33(24)16-7-9-20-22(13-16)32(5)26(34)31(20)4/h6-14,28H,1-5H3.
What are the key properties of 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one?
5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 451.53 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-2-(6-methyl-1H-indol-3-yl)imidazo[4,5-c]pyridin-1-yl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 177185213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).