2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C16H24Cl2N4O2 — CID 120797737

IUPAC2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCn1cnc2ccccc21)C1CCOCC1
InChIInChI=1S/C16H22N4O2.2ClH/c17-15(12-5-9-22-10-6-12)16(21)18-7-8-20-11-19-13-3-1-2-4-14(13)20;;/h1-4,11-12,15H,5-10,17H2,(H,18,21);2*1H
InChIKeyHNDPSQIHQBIDTI-UHFFFAOYSA-N
MW375.30 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120797737) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120797737
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Name2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NCCn1cnc2ccccc21)C1CCOCC1
InChIInChI=1S/C16H22N4O2.2ClH/c17-15(12-5-9-22-10-6-12)16(21)18-7-8-20-11-19-13-3-1-2-4-14(13)20;;/h1-4,11-12,15H,5-10,17H2,(H,18,21);2*1H
InChIKeyHNDPSQIHQBIDTI-UHFFFAOYSA-N
XLogP1.75
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
2-amino-N-(3,3-diphenylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783183
2-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120797230
N-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120797737) is 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NCCn1cnc2ccccc21)C1CCOCC1.
What is the InChIKey of 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is HNDPSQIHQBIDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.2ClH/c17-15(12-5-9-22-10-6-12)16(21)18-7-8-20-11-19-13-3-1-2-4-14(13)20;;/h1-4,11-12,15H,5-10,17H2,(H,18,21);2*1H.
What are the key properties of 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120797737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).