1-benzyl-2-(5-methoxy-2-pyridinyl)indole

C21H18N2O — CID 157451859

IUPAC1-benzyl-2-(5-methoxy-2-pyridinyl)indole
SMILESCOc1ccc(-c2cc3ccccc3n2Cc2ccccc2)nc1
InChIInChI=1S/C21H18N2O/c1-24-18-11-12-19(22-14-18)21-13-17-9-5-6-10-20(17)23(21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyDPIPCHVDIIZTMN-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.76
Rot. Bonds4

About 1-benzyl-2-(5-methoxy-2-pyridinyl)indole

1-benzyl-2-(5-methoxy-2-pyridinyl)indole (PubChem CID 157451859) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzyl-2-(5-methoxy-2-pyridinyl)indole.

Molecular Properties

Compound Name1-benzyl-2-(5-methoxy-2-pyridinyl)indole
PubChem CID157451859
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-benzyl-2-(5-methoxy-2-pyridinyl)indole
SMILESCOc1ccc(-c2cc3ccccc3n2Cc2ccccc2)nc1
InChIInChI=1S/C21H18N2O/c1-24-18-11-12-19(22-14-18)21-13-17-9-5-6-10-20(17)23(21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKeyDPIPCHVDIIZTMN-UHFFFAOYSA-N
XLogP4.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 1180094
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
16-benzyl-5-(4-methoxyphenyl)-3,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
CID 171780789
methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 122702782
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
(1-benzylindol-2-yl)-triethylsilane
CID 90095967

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(5-methoxy-2-pyridinyl)indole?
The IUPAC name of 1-benzyl-2-(5-methoxy-2-pyridinyl)indole (CID 157451859) is 1-benzyl-2-(5-methoxy-2-pyridinyl)indole.
What is the SMILES notation for 1-benzyl-2-(5-methoxy-2-pyridinyl)indole?
The canonical SMILES for 1-benzyl-2-(5-methoxy-2-pyridinyl)indole is COc1ccc(-c2cc3ccccc3n2Cc2ccccc2)nc1.
What is the InChIKey of 1-benzyl-2-(5-methoxy-2-pyridinyl)indole?
The InChIKey is DPIPCHVDIIZTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-24-18-11-12-19(22-14-18)21-13-17-9-5-6-10-20(17)23(21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3.
What are the key properties of 1-benzyl-2-(5-methoxy-2-pyridinyl)indole?
1-benzyl-2-(5-methoxy-2-pyridinyl)indole has a molecular weight of 314.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(5-methoxy-2-pyridinyl)indole is sourced from PubChem (CID 157451859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).