5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole

C26H27N5O — CID 160683674

IUPAC5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole
SMILESCOc1ccc2[nH]cc(CCCc3nccc(Cc4ccc5c(c4)nc(C)n5C)n3)c2c1
InChIInChI=1S/C26H27N5O/c1-17-29-24-14-18(7-10-25(24)31(17)2)13-20-11-12-27-26(30-20)6-4-5-19-16-28-23-9-8-21(32-3)15-22(19)23/h7-12,14-16,28H,4-6,13H2,1-3H3
InChIKeyROMAIKUYSQPYAV-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.93
Rot. Bonds7

About 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole

5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole (PubChem CID 160683674) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole.

Molecular Properties

Compound Name5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole
PubChem CID160683674
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole
SMILESCOc1ccc2[nH]cc(CCCc3nccc(Cc4ccc5c(c4)nc(C)n5C)n3)c2c1
InChIInChI=1S/C26H27N5O/c1-17-29-24-14-18(7-10-25(24)31(17)2)13-20-11-12-27-26(30-20)6-4-5-19-16-28-23-9-8-21(32-3)15-22(19)23/h7-12,14-16,28H,4-6,13H2,1-3H3
InChIKeyROMAIKUYSQPYAV-UHFFFAOYSA-N
XLogP4.93
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole?
The IUPAC name of 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole (CID 160683674) is 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole.
What is the SMILES notation for 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole?
The canonical SMILES for 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole is COc1ccc2[nH]cc(CCCc3nccc(Cc4ccc5c(c4)nc(C)n5C)n3)c2c1.
What is the InChIKey of 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole?
The InChIKey is ROMAIKUYSQPYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17-29-24-14-18(7-10-25(24)31(17)2)13-20-11-12-27-26(30-20)6-4-5-19-16-28-23-9-8-21(32-3)15-22(19)23/h7-12,14-16,28H,4-6,13H2,1-3H3.
What are the key properties of 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole?
5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole has a molecular weight of 425.54 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[3-(5-methoxy-1H-indol-3-yl)propyl]pyrimidin-4-yl]methyl]-1,2-dimethylbenzimidazole is sourced from PubChem (CID 160683674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).