5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole

C12H14ClN3 — CID 76850753

IUPAC5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole
SMILESClc1ccc2c(c1)CCN2CC1=NCCN1
InChIInChI=1S/C12H14ClN3/c13-10-1-2-11-9(7-10)3-6-16(11)8-12-14-4-5-15-12/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyMTFKDWZFIRAIGD-UHFFFAOYSA-N
MW235.72 g/mol
LogP1.70
Rot. Bonds2

About 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole

5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole (PubChem CID 76850753) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole
PubChem CID76850753
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole
SMILESClc1ccc2c(c1)CCN2CC1=NCCN1
InChIInChI=1S/C12H14ClN3/c13-10-1-2-11-9(7-10)3-6-16(11)8-12-14-4-5-15-12/h1-2,7H,3-6,8H2,(H,14,15)
InChIKeyMTFKDWZFIRAIGD-UHFFFAOYSA-N
XLogP1.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole (CID 76850753) is 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole is Clc1ccc2c(c1)CCN2CC1=NCCN1.
What is the InChIKey of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
The InChIKey is MTFKDWZFIRAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-10-1-2-11-9(7-10)3-6-16(11)8-12-14-4-5-15-12/h1-2,7H,3-6,8H2,(H,14,15).
What are the key properties of 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole?
5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole has a molecular weight of 235.72 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 76850753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).