1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride

C12H14ClN3 — CID 127045823

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
SMILESCl.c1ccc2c(c1)ccn2CC1=NCCN1
InChIInChI=1S/C12H13N3.ClH/c1-2-4-11-10(3-1)5-8-15(11)9-12-13-6-7-14-12;/h1-5,8H,6-7,9H2,(H,13,14);1H
InChIKeyVNNVPLCROZGJMJ-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.06
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride (PubChem CID 127045823) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
PubChem CID127045823
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride
SMILESCl.c1ccc2c(c1)ccn2CC1=NCCN1
InChIInChI=1S/C12H13N3.ClH/c1-2-4-11-10(3-1)5-8-15(11)9-12-13-6-7-14-12;/h1-5,8H,6-7,9H2,(H,13,14);1H
InChIKeyVNNVPLCROZGJMJ-UHFFFAOYSA-N
XLogP2.06
TPSA29.32 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride (CID 127045823) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride is Cl.c1ccc2c(c1)ccn2CC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
The InChIKey is VNNVPLCROZGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.ClH/c1-2-4-11-10(3-1)5-8-15(11)9-12-13-6-7-14-12;/h1-5,8H,6-7,9H2,(H,13,14);1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride has a molecular weight of 235.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indole;hydrochloride is sourced from PubChem (CID 127045823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).