(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol

C20H23N3O — CID 110929241

IUPAC(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCCn1c(CN[C@@H]2c3ccccc3C[C@@H]2O)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-2-11-23-17-10-6-5-9-16(17)22-19(23)13-21-20-15-8-4-3-7-14(15)12-18(20)24/h3-10,18,20-21,24H,2,11-13H2,1H3/t18-,20+/m0/s1
InChIKeyXXFOIMBBMQMRCU-AZUAARDMSA-N
MW321.42 g/mol
LogP3.19
Rot. Bonds5

About (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 110929241) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID110929241
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCCn1c(CN[C@@H]2c3ccccc3C[C@@H]2O)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-2-11-23-17-10-6-5-9-16(17)22-19(23)13-21-20-15-8-4-3-7-14(15)12-18(20)24/h3-10,18,20-21,24H,2,11-13H2,1H3/t18-,20+/m0/s1
InChIKeyXXFOIMBBMQMRCU-AZUAARDMSA-N
XLogP3.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3-tetramethyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79352406
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
1-cyclopropyl-N-[(1-propylbenzimidazol-2-yl)methyl]piperidin-4-amine
CID 119137487
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 62088750
N-[(1-methylcyclobutyl)methyl]-1-(1-propylbenzimidazol-2-yl)methanamine
CID 103735922
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 110929241) is (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is CCCn1c(CN[C@@H]2c3ccccc3C[C@@H]2O)nc2ccccc21.
What is the InChIKey of (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is XXFOIMBBMQMRCU-AZUAARDMSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-11-23-17-10-6-5-9-16(17)22-19(23)13-21-20-15-8-4-3-7-14(15)12-18(20)24/h3-10,18,20-21,24H,2,11-13H2,1H3/t18-,20+/m0/s1.
What are the key properties of (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 321.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(1-propylbenzimidazol-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 110929241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).