(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol

C21H26N4O — CID 167856292

IUPAC(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NC[C@@H]1C[C@H](N)[C@@H](O)C1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H26N4O/c1-14(23-12-15-10-18(22)21(26)11-15)16-6-8-17(9-7-16)25-13-24-19-4-2-3-5-20(19)25/h2-9,13-15,18,21,23,26H,10-12,22H2,1H3/t14?,15-,18+,21+/m1/s1
InChIKeyDDMHRJZMCLWHJG-WUKWITRBSA-N
MW350.47 g/mol
LogP2.77
Rot. Bonds5

About (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol

(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol (PubChem CID 167856292) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol
PubChem CID167856292
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol
SMILESCC(NC[C@@H]1C[C@H](N)[C@@H](O)C1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H26N4O/c1-14(23-12-15-10-18(22)21(26)11-15)16-6-8-17(9-7-16)25-13-24-19-4-2-3-5-20(19)25/h2-9,13-15,18,21,23,26H,10-12,22H2,1H3/t14?,15-,18+,21+/m1/s1
InChIKeyDDMHRJZMCLWHJG-WUKWITRBSA-N
XLogP2.77
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 167962451
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
2-amino-2-(hydroxymethyl)propane-1,3-diol;1-phenylbenzimidazole
CID 155109069
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
CID 55570520
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
4-(benzimidazol-1-yl)-N-butan-2-ylbenzamide
CID 24624881
4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948973
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-(2-amino-1-cyclopropylethyl)-4-(benzimidazol-1-yl)benzamide
CID 119613835

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol (CID 167856292) is (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol is CC(NC[C@@H]1C[C@H](N)[C@@H](O)C1)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is DDMHRJZMCLWHJG-WUKWITRBSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14(23-12-15-10-18(22)21(26)11-15)16-6-8-17(9-7-16)25-13-24-19-4-2-3-5-20(19)25/h2-9,13-15,18,21,23,26H,10-12,22H2,1H3/t14?,15-,18+,21+/m1/s1.
What are the key properties of (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol?
(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 350.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 167856292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).