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

C21H28Cl2N4O — CID 120670410

IUPAC2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC(C)c2nc3ccccc3n2C(C)C)cc1.Cl.Cl
InChIInChI=1S/C21H26N4O.2ClH/c1-13(2)25-18-8-6-5-7-17(18)24-20(25)15(4)23-21(26)19(22)16-11-9-14(3)10-12-16;;/h5-13,15,19H,22H2,1-4H3,(H,23,26);2*1H
InChIKeyONOYENPQPBVAOM-UHFFFAOYSA-N
MW423.39 g/mol
LogP4.65
Rot. Bonds5

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

2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride (PubChem CID 120670410) has the molecular formula C21H28Cl2N4O and a molecular weight of 423.39 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
PubChem CID120670410
Molecular FormulaC21H28Cl2N4O
Molecular Weight423.39 g/mol
Exact Mass422.16
IUPAC Name2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NC(C)c2nc3ccccc3n2C(C)C)cc1.Cl.Cl
InChIInChI=1S/C21H26N4O.2ClH/c1-13(2)25-18-8-6-5-7-17(18)24-20(25)15(4)23-21(26)19(22)16-11-9-14(3)10-12-16;;/h5-13,15,19H,22H2,1-4H3,(H,23,26);2*1H
InChIKeyONOYENPQPBVAOM-UHFFFAOYSA-N
XLogP4.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-pyridin-4-ylpropanamide
CID 154762835
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CID 25315233
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
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N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
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2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 106312576
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685706
2-(4-chlorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 46951717

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride (CID 120670410) is 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NC(C)c2nc3ccccc3n2C(C)C)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
The InChIKey is ONOYENPQPBVAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O.2ClH/c1-13(2)25-18-8-6-5-7-17(18)24-20(25)15(4)23-21(26)19(22)16-11-9-14(3)10-12-16;;/h5-13,15,19H,22H2,1-4H3,(H,23,26);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride has a molecular weight of 423.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 120670410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).