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

C14H17N5O2 — CID 60846611

IUPAC2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C14H17N5O2/c15-12(7-13(16)20)14(21)18-11-3-1-2-10(6-11)8-19-5-4-17-9-19/h1-6,9,12H,7-8,15H2,(H2,16,20)(H,18,21)
InChIKeyJRZIAWBGVODODD-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.07
Rot. Bonds6

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

2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide (PubChem CID 60846611) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
PubChem CID60846611
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
SMILESNC(=O)CC(N)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C14H17N5O2/c15-12(7-13(16)20)14(21)18-11-3-1-2-10(6-11)8-19-5-4-17-9-19/h1-6,9,12H,7-8,15H2,(H2,16,20)(H,18,21)
InChIKeyJRZIAWBGVODODD-UHFFFAOYSA-N
XLogP0.07
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
CID 47028953
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208915
(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435
2-(2,4-dichlorophenyl)-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 32557297
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 60866364

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide?
The IUPAC name of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide (CID 60846611) is 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide.
What is the SMILES notation for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide?
The canonical SMILES for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide is NC(=O)CC(N)C(=O)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide?
The InChIKey is JRZIAWBGVODODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-12(7-13(16)20)14(21)18-11-3-1-2-10(6-11)8-19-5-4-17-9-19/h1-6,9,12H,7-8,15H2,(H2,16,20)(H,18,21).
What are the key properties of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide?
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide has a molecular weight of 287.32 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide is sourced from PubChem (CID 60846611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).