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

C16H24Cl2N4O2 — CID 120797215

IUPAC2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1c(CNC(=O)C(N)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C16H22N4O2.2ClH/c1-20-13-5-3-2-4-12(13)19-14(20)10-18-16(21)15(17)11-6-8-22-9-7-11;;/h2-5,11,15H,6-10,17H2,1H3,(H,18,21);2*1H
InChIKeyDITRBYUUJPJIIG-UHFFFAOYSA-N
MW375.30 g/mol
LogP1.79
Rot. Bonds4

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

2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120797215) has the molecular formula C16H24Cl2N4O2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120797215
Molecular FormulaC16H24Cl2N4O2
Molecular Weight375.30 g/mol
Exact Mass374.13
IUPAC Name2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.Cn1c(CNC(=O)C(N)C2CCOCC2)nc2ccccc21
InChIInChI=1S/C16H22N4O2.2ClH/c1-20-13-5-3-2-4-12(13)19-14(20)10-18-16(21)15(17)11-6-8-22-9-7-11;;/h2-5,11,15H,6-10,17H2,1H3,(H,18,21);2*1H
InChIKeyDITRBYUUJPJIIG-UHFFFAOYSA-N
XLogP1.79
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
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N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
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2-amino-N-benzyl-2-(oxan-4-yl)acetamide
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2-amino-N-(naphthalen-1-ylmethyl)-2-(oxan-4-yl)acetamide;hydrochloride
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2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
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2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
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2-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801605
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
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6-[(1-methylbenzimidazol-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133383519

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120797215) is 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.Cn1c(CNC(=O)C(N)C2CCOCC2)nc2ccccc21.
What is the InChIKey of 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is DITRBYUUJPJIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.2ClH/c1-20-13-5-3-2-4-12(13)19-14(20)10-18-16(21)15(17)11-6-8-22-9-7-11;;/h2-5,11,15H,6-10,17H2,1H3,(H,18,21);2*1H.
What are the key properties of 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 375.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120797215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).