N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride

C22H28Cl2N4O2 — CID 119573300

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCC(CN)(NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)C1CC1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-22(15-23,16-11-12-16)25-21(27)13-26-19-10-6-5-9-18(19)24-20(26)14-28-17-7-3-2-4-8-17;;/h2-10,16H,11-15,23H2,1H3,(H,25,27);2*1H
InChIKeySESOBHNQFICDAW-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.70
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride (PubChem CID 119573300) has the molecular formula C22H28Cl2N4O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
PubChem CID119573300
Molecular FormulaC22H28Cl2N4O2
Molecular Weight451.40 g/mol
Exact Mass450.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride
SMILESCC(CN)(NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)C1CC1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-22(15-23,16-11-12-16)25-21(27)13-26-19-10-6-5-9-18(19)24-20(26)14-28-17-7-3-2-4-8-17;;/h2-10,16H,11-15,23H2,1H3,(H,25,27);2*1H
InChIKeySESOBHNQFICDAW-UHFFFAOYSA-N
XLogP3.70
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
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CID 112767743
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride (CID 119573300) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride is CC(CN)(NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
The InChIKey is SESOBHNQFICDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.2ClH/c1-22(15-23,16-11-12-16)25-21(27)13-26-19-10-6-5-9-18(19)24-20(26)14-28-17-7-3-2-4-8-17;;/h2-10,16H,11-15,23H2,1H3,(H,25,27);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride has a molecular weight of 451.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119573300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).