4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole

C12H12ClN3 — CID 69203960

IUPAC4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole
SMILESClc1cccc2c1ccn2CC1=CNCN1
InChIInChI=1S/C12H12ClN3/c13-11-2-1-3-12-10(11)4-5-16(12)7-9-6-14-8-15-9/h1-6,14-15H,7-8H2
InChIKeyLIHOYQIHAUUPEB-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.29
Rot. Bonds2

About 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole

4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole (PubChem CID 69203960) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole.

Molecular Properties

Compound Name4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole
PubChem CID69203960
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole
SMILESClc1cccc2c1ccn2CC1=CNCN1
InChIInChI=1S/C12H12ClN3/c13-11-2-1-3-12-10(11)4-5-16(12)7-9-6-14-8-15-9/h1-6,14-15H,7-8H2
InChIKeyLIHOYQIHAUUPEB-UHFFFAOYSA-N
XLogP2.29
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole?
The IUPAC name of 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole (CID 69203960) is 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole.
What is the SMILES notation for 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole?
The canonical SMILES for 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole is Clc1cccc2c1ccn2CC1=CNCN1.
What is the InChIKey of 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole?
The InChIKey is LIHOYQIHAUUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-11-2-1-3-12-10(11)4-5-16(12)7-9-6-14-8-15-9/h1-6,14-15H,7-8H2.
What are the key properties of 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole?
4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole has a molecular weight of 233.70 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole is sourced from PubChem (CID 69203960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).