2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride

C18H26Cl2N4O3 — CID 120798817

IUPAC2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCOCC1
InChIInChI=1S/C18H24N4O3.2ClH/c19-16(11-5-8-24-9-6-11)18(23)20-12-3-4-13-14(10-12)22-17(21-13)15-2-1-7-25-15;;/h3-4,10-11,15-16H,1-2,5-9,19H2,(H,20,23)(H,21,22);2*1H
InChIKeyLPEAQPRBKBBKJT-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.95
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride (PubChem CID 120798817) has the molecular formula C18H26Cl2N4O3 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
PubChem CID120798817
Molecular FormulaC18H26Cl2N4O3
Molecular Weight417.34 g/mol
Exact Mass416.14
IUPAC Name2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCOCC1
InChIInChI=1S/C18H24N4O3.2ClH/c19-16(11-5-8-24-9-6-11)18(23)20-12-3-4-13-14(10-12)22-17(21-13)15-2-1-7-25-15;;/h3-4,10-11,15-16H,1-2,5-9,19H2,(H,20,23)(H,21,22);2*1H
InChIKeyLPEAQPRBKBBKJT-UHFFFAOYSA-N
XLogP2.95
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
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2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
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(2S)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-3-ylpropanamide
CID 95980969
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride (CID 120798817) is 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride?
The InChIKey is LPEAQPRBKBBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.2ClH/c19-16(11-5-8-24-9-6-11)18(23)20-12-3-4-13-14(10-12)22-17(21-13)15-2-1-7-25-15;;/h3-4,10-11,15-16H,1-2,5-9,19H2,(H,20,23)(H,21,22);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride has a molecular weight of 417.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride is sourced from PubChem (CID 120798817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).