2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol

C19H22N4O — CID 4787112

IUPAC2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1CN1CCc2ccccc2C1
InChIInChI=1S/C19H22N4O/c24-12-10-20-19-21-17-7-3-4-8-18(17)23(19)14-22-11-9-15-5-1-2-6-16(15)13-22/h1-8,24H,9-14H2,(H,20,21)
InChIKeyVUHMATGXQKLPGI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.46
Rot. Bonds5

About 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol

2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol (PubChem CID 4787112) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol
PubChem CID4787112
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol
SMILESOCCNc1nc2ccccc2n1CN1CCc2ccccc2C1
InChIInChI=1S/C19H22N4O/c24-12-10-20-19-21-17-7-3-4-8-18(17)23(19)14-22-11-9-15-5-1-2-6-16(15)13-22/h1-8,24H,9-14H2,(H,20,21)
InChIKeyVUHMATGXQKLPGI-UHFFFAOYSA-N
XLogP2.46
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
2-[[1-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 4968917
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 51142185
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
2-[[1-[(5-bromothiophen-3-yl)methyl]benzimidazol-2-yl]amino]ethanol
CID 71895290
1-ethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-2-amine;hydrobromide
CID 18460636
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527
N-benzyl-N-tert-butyl-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142202
2-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 51142216

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol (CID 4787112) is 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol is OCCNc1nc2ccccc2n1CN1CCc2ccccc2C1.
What is the InChIKey of 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol?
The InChIKey is VUHMATGXQKLPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-12-10-20-19-21-17-7-3-4-8-18(17)23(19)14-22-11-9-15-5-1-2-6-16(15)13-22/h1-8,24H,9-14H2,(H,20,21).
What are the key properties of 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol?
2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol has a molecular weight of 322.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 4787112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).