2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole

C25H23N3O3 — CID 164613661

IUPAC2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2cccc3[nH]c(-c4ccc5c(ccn5C)c4)nc23)cc(OC)c1OC
InChIInChI=1S/C25H23N3O3/c1-28-11-10-15-12-16(8-9-20(15)28)25-26-19-7-5-6-18(23(19)27-25)17-13-21(29-2)24(31-4)22(14-17)30-3/h5-14H,1-4H3,(H,26,27)
InChIKeyYWJPNURRKFRPDJ-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.41
Rot. Bonds5

About 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole

2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole (PubChem CID 164613661) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
PubChem CID164613661
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2cccc3[nH]c(-c4ccc5c(ccn5C)c4)nc23)cc(OC)c1OC
InChIInChI=1S/C25H23N3O3/c1-28-11-10-15-12-16(8-9-20(15)28)25-26-19-7-5-6-18(23(19)27-25)17-13-21(29-2)24(31-4)22(14-17)30-3/h5-14H,1-4H3,(H,26,27)
InChIKeyYWJPNURRKFRPDJ-UHFFFAOYSA-N
XLogP5.41
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227
2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195228
2-(1-Methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 155804414
2-(1-methylindol-4-yl)-7-(3,4,5-trimethoxyphenyl)-1~{H}-benzimidazole
CID 156619925
1-[3-(3,5-dimethoxyphenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-4-pyridinyl]piperidin-4-amine
CID 164622117
1-(2-Naphthyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 11639084
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
2-(5,6-Dimethoxy-1-methyl-1h-indol-3-yl)-1h-pyrrolo[2,3-b]pyridine
CID 22477349
1-(1H-indol-5-yl)-6-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2(3H)-one
CID 46234666
6-[1-[2-(3,4-dimethoxyphenyl)ethyl]triazol-4-yl]-1H-benzimidazole
CID 53379083
6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473230

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole (CID 164613661) is 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole is COc1cc(-c2cccc3[nH]c(-c4ccc5c(ccn5C)c4)nc23)cc(OC)c1OC.
What is the InChIKey of 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
The InChIKey is YWJPNURRKFRPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-28-11-10-15-12-16(8-9-20(15)28)25-26-19-7-5-6-18(23(19)27-25)17-13-21(29-2)24(31-4)22(14-17)30-3/h5-14H,1-4H3,(H,26,27).
What are the key properties of 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole?
2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole has a molecular weight of 413.48 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)-4-(3,4,5-trimethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 164613661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).