(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride

C19H22Cl2N4O2 — CID 120797183

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)O1
InChIInChI=1S/C19H20N4O2.2ClH/c20-11-15-9-10-18(25-15)19(24)22-13-5-7-14(8-6-13)23-12-21-16-3-1-2-4-17(16)23;;/h1-8,12,15,18H,9-11,20H2,(H,22,24);2*1H/t15-,18+;;/m1../s1
InChIKeyZQAGIEZUICKJQH-RZCPSWOESA-N
MW409.32 g/mol
LogP3.31
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120797183) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120797183
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)O1
InChIInChI=1S/C19H20N4O2.2ClH/c20-11-15-9-10-18(25-15)19(24)22-13-5-7-14(8-6-13)23-12-21-16-3-1-2-4-17(16)23;;/h1-8,12,15,18H,9-11,20H2,(H,22,24);2*1H/t15-,18+;;/m1../s1
InChIKeyZQAGIEZUICKJQH-RZCPSWOESA-N
XLogP3.31
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-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

(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2R)-N-[4-(benzimidazol-1-yl)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 126785065
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(1R)-N-[4-(benzimidazol-1-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 41491419
N-[4-(benzimidazol-1-yl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46642187
(2S,5R)-5-(aminomethyl)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 120799328
(2S,5R)-5-(aminomethyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785137
(2S,5R)-5-(aminomethyl)-N-[3-(phenylcarbamoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785329
(2S,5R)-5-(aminomethyl)-N-(9-ethylcarbazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 120782901

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride (CID 120797183) is (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is ZQAGIEZUICKJQH-RZCPSWOESA-N. The full InChI is InChI=1S/C19H20N4O2.2ClH/c20-11-15-9-10-18(25-15)19(24)22-13-5-7-14(8-6-13)23-12-21-16-3-1-2-4-17(16)23;;/h1-8,12,15,18H,9-11,20H2,(H,22,24);2*1H/t15-,18+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 409.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[4-(benzimidazol-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120797183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).