2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide

C13H16N4O — CID 43696854

IUPAC2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
SMILESCC(N)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C13H16N4O/c1-10(14)13(18)16-12-4-2-3-11(7-12)8-17-6-5-15-9-17/h2-7,9-10H,8,14H2,1H3,(H,16,18)
InChIKeyQXIRNENEMNVGKU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide

2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide (PubChem CID 43696854) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
PubChem CID43696854
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
SMILESCC(N)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C13H16N4O/c1-10(14)13(18)16-12-4-2-3-11(7-12)8-17-6-5-15-9-17/h2-7,9-10H,8,14H2,1H3,(H,16,18)
InChIKeyQXIRNENEMNVGKU-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
CID 60846611
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
CID 47028953
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
2-amino-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119852264
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208915
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide (CID 43696854) is 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide is CC(N)C(=O)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is QXIRNENEMNVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(14)13(18)16-12-4-2-3-11(7-12)8-17-6-5-15-9-17/h2-7,9-10H,8,14H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide?
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 43696854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).