2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole

C18H17N3 — CID 67618517

IUPAC2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole
SMILESCCn1cncc1Cc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C18H17N3/c1-2-21-12-19-11-14(21)9-13-7-8-16-15-5-3-4-6-17(15)20-18(16)10-13/h3-8,10-12,20H,2,9H2,1H3
InChIKeyKIRWYERKXUWQPI-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.13
Rot. Bonds3

About 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole

2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole (PubChem CID 67618517) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole.

Molecular Properties

Compound Name2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole
PubChem CID67618517
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole
SMILESCCn1cncc1Cc1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C18H17N3/c1-2-21-12-19-11-14(21)9-13-7-8-16-15-5-3-4-6-17(15)20-18(16)10-13/h3-8,10-12,20H,2,9H2,1H3
InChIKeyKIRWYERKXUWQPI-UHFFFAOYSA-N
XLogP4.13
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole?
The IUPAC name of 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole (CID 67618517) is 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole.
What is the SMILES notation for 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole?
The canonical SMILES for 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole is CCn1cncc1Cc1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole?
The InChIKey is KIRWYERKXUWQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-21-12-19-11-14(21)9-13-7-8-16-15-5-3-4-6-17(15)20-18(16)10-13/h3-8,10-12,20H,2,9H2,1H3.
What are the key properties of 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole?
2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole has a molecular weight of 275.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylimidazol-4-yl)methyl]-9H-carbazole is sourced from PubChem (CID 67618517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).