3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine

C19H21Cl2N5O — CID 67822594

IUPAC3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1cccc(Cl)c1NC1=NCCN1.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H12N2O.C9H9Cl2N3/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-2,5-6,12-13H,3-4,11H2;1-3H,4-5H2,(H2,12,13,14)
InChIKeyPKZARDMTWCXFCC-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.74
Rot. Bonds3

About 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine

3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 67822594) has the molecular formula C19H21Cl2N5O and a molecular weight of 406.32 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID67822594
Molecular FormulaC19H21Cl2N5O
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1cccc(Cl)c1NC1=NCCN1.NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C10H12N2O.C9H9Cl2N3/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-2,5-6,12-13H,3-4,11H2;1-3H,4-5H2,(H2,12,13,14)
InChIKeyPKZARDMTWCXFCC-UHFFFAOYSA-N
XLogP3.74
TPSA98.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 67822594) is 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine is Clc1cccc(Cl)c1NC1=NCCN1.NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PKZARDMTWCXFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C9H9Cl2N3/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-2,5-6,12-13H,3-4,11H2;1-3H,4-5H2,(H2,12,13,14).
What are the key properties of 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine?
3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 406.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indol-5-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 67822594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).