(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride

C17H25Cl2FN4O2 — CID 163334571

IUPAC(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1C[C@@H](N)[C@H](O)C1.Cl.Cl
InChIInChI=1S/C17H23FN4O2.2ClH/c1-2-22(17(24)10-7-12(19)15(23)8-10)6-5-16-20-13-4-3-11(18)9-14(13)21-16;;/h3-4,9-10,12,15,23H,2,5-8,19H2,1H3,(H,20,21);2*1H/t10-,12+,15+;;/m0../s1
InChIKeyFTOXODHSGDFJTM-UXOOGWSBSA-N
MW407.32 g/mol
LogP2.03
Rot. Bonds5

About (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride

(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride (PubChem CID 163334571) has the molecular formula C17H25Cl2FN4O2 and a molecular weight of 407.32 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
PubChem CID163334571
Molecular FormulaC17H25Cl2FN4O2
Molecular Weight407.32 g/mol
Exact Mass406.13
IUPAC Name(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
SMILESCCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1C[C@@H](N)[C@H](O)C1.Cl.Cl
InChIInChI=1S/C17H23FN4O2.2ClH/c1-2-22(17(24)10-7-12(19)15(23)8-10)6-5-16-20-13-4-3-11(18)9-14(13)21-16;;/h3-4,9-10,12,15,23H,2,5-8,19H2,1H3,(H,20,21);2*1H/t10-,12+,15+;;/m0../s1
InChIKeyFTOXODHSGDFJTM-UXOOGWSBSA-N
XLogP2.03
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride 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

N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 77078996
1-ethyl-3-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-1-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]urea
CID 126431490
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95707165
N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70782657
N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72877164
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-formyl-2-methylcyclohexene-1-carboxamide
CID 143212121
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]guanidine;dihydrochloride
CID 45357279
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
(1R,2R,4R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 56753286
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride (CID 163334571) is (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride is CCN(CCc1nc2ccc(F)cc2[nH]1)C(=O)[C@H]1C[C@@H](N)[C@H](O)C1.Cl.Cl.
What is the InChIKey of (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is FTOXODHSGDFJTM-UXOOGWSBSA-N. The full InChI is InChI=1S/C17H23FN4O2.2ClH/c1-2-22(17(24)10-7-12(19)15(23)8-10)6-5-16-20-13-4-3-11(18)9-14(13)21-16;;/h3-4,9-10,12,15,23H,2,5-8,19H2,1H3,(H,20,21);2*1H/t10-,12+,15+;;/m0../s1.
What are the key properties of (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride?
(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 407.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 163334571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).