1-(1H-imidazol-5-ylmethyl)-9H-carbazole

C16H13N3 — CID 142626876

IUPAC1-(1H-imidazol-5-ylmethyl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(Cc3cnc[nH]3)cccc12
InChIInChI=1S/C16H13N3/c1-2-7-15-13(5-1)14-6-3-4-11(16(14)19-15)8-12-9-17-10-18-12/h1-7,9-10,19H,8H2,(H,17,18)
InChIKeyUWMIIVCMSZDXEN-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.63
Rot. Bonds2

About 1-(1H-imidazol-5-ylmethyl)-9H-carbazole

1-(1H-imidazol-5-ylmethyl)-9H-carbazole (PubChem CID 142626876) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)-9H-carbazole.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)-9H-carbazole
PubChem CID142626876
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name1-(1H-imidazol-5-ylmethyl)-9H-carbazole
SMILESc1ccc2c(c1)[nH]c1c(Cc3cnc[nH]3)cccc12
InChIInChI=1S/C16H13N3/c1-2-7-15-13(5-1)14-6-3-4-11(16(14)19-15)8-12-9-17-10-18-12/h1-7,9-10,19H,8H2,(H,17,18)
InChIKeyUWMIIVCMSZDXEN-UHFFFAOYSA-N
XLogP3.63
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(pyridin-3-ylmethyl)-9H-carbazole
CID 66606806
9H-carbazol-1-ylmethanol
CID 10987211
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
1-nonyl-9H-carbazole
CID 66872642
1-butyl-9H-carbazole;phosphane;hydrate
CID 174715058
1-but-3-ynyl-9H-carbazole
CID 173036439
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
1-(1H-imidazol-5-ylmethyl)isoquinoline;dihydrochloride
CID 23499199
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
4-[2-(1H-imidazol-5-ylmethyl)phenyl]benzonitrile
CID 59464397
5-[(2-chloro-6-ethylphenyl)methyl]-1H-imidazole
CID 24738219
1-(6-phenoxyhexyl)-9H-carbazole
CID 141296820

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)-9H-carbazole?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)-9H-carbazole (CID 142626876) is 1-(1H-imidazol-5-ylmethyl)-9H-carbazole.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)-9H-carbazole?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)-9H-carbazole is c1ccc2c(c1)[nH]c1c(Cc3cnc[nH]3)cccc12.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)-9H-carbazole?
The InChIKey is UWMIIVCMSZDXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-7-15-13(5-1)14-6-3-4-11(16(14)19-15)8-12-9-17-10-18-12/h1-7,9-10,19H,8H2,(H,17,18).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)-9H-carbazole?
1-(1H-imidazol-5-ylmethyl)-9H-carbazole has a molecular weight of 247.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)-9H-carbazole is sourced from PubChem (CID 142626876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).