2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride

C15H22Cl2N4O — CID 119896317

IUPAC2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
SMILESCCCCn1ccnc1-c1cccc(NC(=O)CN)c1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-2-3-8-19-9-7-17-15(19)12-5-4-6-13(10-12)18-14(20)11-16;;/h4-7,9-10H,2-3,8,11,16H2,1H3,(H,18,20);2*1H
InChIKeyYIELKUXFIIFIBS-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.09
Rot. Bonds6

About 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride

2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride (PubChem CID 119896317) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
PubChem CID119896317
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
SMILESCCCCn1ccnc1-c1cccc(NC(=O)CN)c1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-2-3-8-19-9-7-17-15(19)12-5-4-6-13(10-12)18-14(20)11-16;;/h4-7,9-10H,2-3,8,11,16H2,1H3,(H,18,20);2*1H
InChIKeyYIELKUXFIIFIBS-UHFFFAOYSA-N
XLogP3.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
CID 119896318
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331
N-[3-(1-propylimidazol-2-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 75427147
3-(1-butylimidazol-2-yl)aniline
CID 60813678
N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
CID 75382154
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride (CID 119896317) is 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride is CCCCn1ccnc1-c1cccc(NC(=O)CN)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride?
The InChIKey is YIELKUXFIIFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-2-3-8-19-9-7-17-15(19)12-5-4-6-13(10-12)18-14(20)11-16;;/h4-7,9-10H,2-3,8,11,16H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride?
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119896317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).