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

C14H14ClN3 — CID 114531927

IUPAC4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
SMILESCn1ccnc1CCn1ccc2c(Cl)cccc21
InChIInChI=1S/C14H14ClN3/c1-17-10-7-16-14(17)6-9-18-8-5-11-12(15)3-2-4-13(11)18/h2-5,7-8,10H,6,9H2,1H3
InChIKeyCFYHSAXCFMOZOQ-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.27
Rot. Bonds3

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

4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole (PubChem CID 114531927) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole.

Molecular Properties

Compound Name4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
PubChem CID114531927
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
SMILESCn1ccnc1CCn1ccc2c(Cl)cccc21
InChIInChI=1S/C14H14ClN3/c1-17-10-7-16-14(17)6-9-18-8-5-11-12(15)3-2-4-13(11)18/h2-5,7-8,10H,6,9H2,1H3
InChIKeyCFYHSAXCFMOZOQ-UHFFFAOYSA-N
XLogP3.27
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]indole-4-carbaldehyde
CID 114528876
1-[2-(1-methylimidazol-2-yl)ethyl]-4-nitroindole
CID 114531926
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
4-chloro-2-(1-chloroethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 104837994
4-chloro-1-(3-fluoropropyl)indole
CID 116623866
1-[2-(4-chloroindol-1-yl)ethyl]pyridin-2-one
CID 116623868
2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 39334901
4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
4-chloro-1-(3,3-dimethoxypropyl)indole
CID 121393338
4-chloro-1-(2-propoxyethyl)indole
CID 106458079
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
4-chloro-1-[2-(trifluoromethoxy)ethyl]indole
CID 116623860

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole?
The IUPAC name of 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole (CID 114531927) is 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole.
What is the SMILES notation for 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole?
The canonical SMILES for 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole is Cn1ccnc1CCn1ccc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole?
The InChIKey is CFYHSAXCFMOZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-17-10-7-16-14(17)6-9-18-8-5-11-12(15)3-2-4-13(11)18/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole?
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole has a molecular weight of 259.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole is sourced from PubChem (CID 114531927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).