2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride

C18H28Cl2N4O2 — CID 120800815

IUPAC2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCC(C)n1c(CNC(=O)C(N)C2CCOCC2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-12(2)22-15-6-4-3-5-14(15)21-16(22)11-20-18(23)17(19)13-7-9-24-10-8-13;;/h3-6,12-13,17H,7-11,19H2,1-2H3,(H,20,23);2*1H
InChIKeyOVTVLNRRFGZYKD-UHFFFAOYSA-N
MW403.35 g/mol
LogP2.83
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride (PubChem CID 120800815) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
PubChem CID120800815
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
SMILESCC(C)n1c(CNC(=O)C(N)C2CCOCC2)nc2ccccc21.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-12(2)22-15-6-4-3-5-14(15)21-16(22)11-20-18(23)17(19)13-7-9-24-10-8-13;;/h3-6,12-13,17H,7-11,19H2,1-2H3,(H,20,23);2*1H
InChIKeyOVTVLNRRFGZYKD-UHFFFAOYSA-N
XLogP2.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
2-amino-N-[2-(benzimidazol-1-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797737
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 139007416
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786171
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77094843
2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801605

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride (CID 120800815) is 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride is CC(C)n1c(CNC(=O)C(N)C2CCOCC2)nc2ccccc21.Cl.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride?
The InChIKey is OVTVLNRRFGZYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c1-12(2)22-15-6-4-3-5-14(15)21-16(22)11-20-18(23)17(19)13-7-9-24-10-8-13;;/h3-6,12-13,17H,7-11,19H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 120800815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).