2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride

C14H20Cl2N4O — CID 154912858

IUPAC2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
SMILESCc1nccn1Cc1ccccc1NC(=O)C(C)N.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-10(15)14(19)17-13-6-4-3-5-12(13)9-18-8-7-16-11(18)2;;/h3-8,10H,9,15H2,1-2H3,(H,17,19);2*1H
InChIKeySMXUBLCPPGNHSO-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.37
Rot. Bonds4

About 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride

2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride (PubChem CID 154912858) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
PubChem CID154912858
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC Name2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
SMILESCc1nccn1Cc1ccccc1NC(=O)C(C)N.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-10(15)14(19)17-13-6-4-3-5-12(13)9-18-8-7-16-11(18)2;;/h3-8,10H,9,15H2,1-2H3,(H,17,19);2*1H
InChIKeySMXUBLCPPGNHSO-UHFFFAOYSA-N
XLogP2.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride (CID 154912858) is 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride is Cc1nccn1Cc1ccccc1NC(=O)C(C)N.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
The InChIKey is SMXUBLCPPGNHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-10(15)14(19)17-13-6-4-3-5-12(13)9-18-8-7-16-11(18)2;;/h3-8,10H,9,15H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride?
2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 154912858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).