4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile

Name: 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₇N₃O — CID 114532565

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile

SMILESCn1ccnc1CCC1(C#N)CCOc2ccccc21

InChIInChI=1S/C16H17N3O/c1-19-10-9-18-15(19)6-7-16(12-17)8-11-20-14-5-3-2-4-13(14)16/h2-5,9-10H,6-8,11H2,1H3

InChIKeyVIMCHZIXIVGVJA-UHFFFAOYSA-N

MW267.33 g/mol

LogP2.60

Rot. Bonds3

About 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile

4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile (PubChem CID 114532565) has the molecular formula C₁₆H₁₇N₃O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile.

Molecular Properties

Compound Name	4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile
PubChem CID	114532565
Molecular Formula	C₁₆H₁₇N₃O
Molecular Weight	267.33 g/mol
Exact Mass	267.14
IUPAC Name	4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile
SMILES	Cn1ccnc1CCC1(C#N)CCOc2ccccc21
InChI	InChI=1S/C16H17N3O/c1-19-10-9-18-15(19)6-7-16(12-17)8-11-20-14-5-3-2-4-13(14)16/h2-5,9-10H,6-8,11H2,1H3
InChIKey	VIMCHZIXIVGVJA-UHFFFAOYSA-N
XLogP	2.60
TPSA	50.84 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.33
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile?

The IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile (CID 114532565) is 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile.

What is the SMILES notation for 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile?

The canonical SMILES for 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile is Cn1ccnc1CCC1(C#N)CCOc2ccccc21.

What is the InChIKey of 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile?

The InChIKey is VIMCHZIXIVGVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-10-9-18-15(19)6-7-16(12-17)8-11-20-14-5-3-2-4-13(14)16/h2-5,9-10H,6-8,11H2,1H3.

What are the key properties of 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile?

4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydrochromene-4-carbonitrile is sourced from PubChem (CID 114532565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 114532565 — identifiers, structure, computed properties (public domain)

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