4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole

C15H17N3O — CID 83173718

IUPAC4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
SMILESCOc1cccc2c1ccn2CCn1ccnc1C
InChIInChI=1S/C15H17N3O/c1-12-16-7-9-17(12)10-11-18-8-6-13-14(18)4-3-5-15(13)19-2/h3-9H,10-11H2,1-2H3
InChIKeyMOKPWHKPHAYYSU-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.86
Rot. Bonds4

About 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole

4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole (PubChem CID 83173718) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole.

Molecular Properties

Compound Name4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
PubChem CID83173718
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
SMILESCOc1cccc2c1ccn2CCn1ccnc1C
InChIInChI=1S/C15H17N3O/c1-12-16-7-9-17(12)10-11-18-8-6-13-14(18)4-3-5-15(13)19-2/h3-9H,10-11H2,1-2H3
InChIKeyMOKPWHKPHAYYSU-UHFFFAOYSA-N
XLogP2.86
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(2-pyrazol-1-ylethyl)indole
CID 83174518
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
1-heptyl-4-methoxyindole
CID 83174164
4-methoxy-1-(3-phenoxypropyl)indole
CID 83165816
methyl 4-(4-methoxyindol-1-yl)butanoate
CID 83163082
N-tert-butyl-4-(4-methoxyindol-1-yl)butan-1-amine
CID 83162754
N-[2-(4-methoxyindol-1-yl)ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 71705067
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
1-[(E)-but-2-enyl]-4-methoxyindole
CID 83173712
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122574
N-[2-(4-methoxyindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 83164912

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole?
The IUPAC name of 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole (CID 83173718) is 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole.
What is the SMILES notation for 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole?
The canonical SMILES for 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole is COc1cccc2c1ccn2CCn1ccnc1C.
What is the InChIKey of 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole?
The InChIKey is MOKPWHKPHAYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-16-7-9-17(12)10-11-18-8-6-13-14(18)4-3-5-15(13)19-2/h3-9H,10-11H2,1-2H3.
What are the key properties of 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole?
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole has a molecular weight of 255.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole is sourced from PubChem (CID 83173718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).