3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol

C20H23N5O — CID 3060036

IUPAC3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol
SMILESOCCCN(Cc1c(-c2ccccn2)[nH]c2ccccc12)C1=NCCN1
InChIInChI=1S/C20H23N5O/c26-13-5-12-25(20-22-10-11-23-20)14-16-15-6-1-2-7-17(15)24-19(16)18-8-3-4-9-21-18/h1-4,6-9,24,26H,5,10-14H2,(H,22,23)
InChIKeyLQIIQNOIWLGJLZ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.37
Rot. Bonds6

About 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol

3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol (PubChem CID 3060036) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol
PubChem CID3060036
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol
SMILESOCCCN(Cc1c(-c2ccccn2)[nH]c2ccccc12)C1=NCCN1
InChIInChI=1S/C20H23N5O/c26-13-5-12-25(20-22-10-11-23-20)14-16-15-6-1-2-7-17(15)24-19(16)18-8-3-4-9-21-18/h1-4,6-9,24,26H,5,10-14H2,(H,22,23)
InChIKeyLQIIQNOIWLGJLZ-UHFFFAOYSA-N
XLogP2.37
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol (CID 3060036) is 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol is OCCCN(Cc1c(-c2ccccn2)[nH]c2ccccc12)C1=NCCN1.
What is the InChIKey of 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol?
The InChIKey is LQIIQNOIWLGJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-13-5-12-25(20-22-10-11-23-20)14-16-15-6-1-2-7-17(15)24-19(16)18-8-3-4-9-21-18/h1-4,6-9,24,26H,5,10-14H2,(H,22,23).
What are the key properties of 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol?
3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol has a molecular weight of 349.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 3060036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).