3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one

C14H15N5O — CID 62741379

IUPAC3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one
SMILESCc1[nH]cnc1CNc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C14H15N5O/c1-10-13(18-9-17-10)8-16-11-2-4-12(5-3-11)19-7-6-15-14(19)20/h2-7,9,16H,8H2,1H3,(H,15,20)(H,17,18)
InChIKeyNAOBXBCGEDWCTG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.81
Rot. Bonds4

About 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one

3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one (PubChem CID 62741379) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one
PubChem CID62741379
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one
SMILESCc1[nH]cnc1CNc1ccc(-n2cc[nH]c2=O)cc1
InChIInChI=1S/C14H15N5O/c1-10-13(18-9-17-10)8-16-11-2-4-12(5-3-11)19-7-6-15-14(19)20/h2-7,9,16H,8H2,1H3,(H,15,20)(H,17,18)
InChIKeyNAOBXBCGEDWCTG-UHFFFAOYSA-N
XLogP1.81
TPSA78.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one (CID 62741379) is 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one is Cc1[nH]cnc1CNc1ccc(-n2cc[nH]c2=O)cc1.
What is the InChIKey of 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one?
The InChIKey is NAOBXBCGEDWCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-13(18-9-17-10)8-16-11-2-4-12(5-3-11)19-7-6-15-14(19)20/h2-7,9,16H,8H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one?
3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one has a molecular weight of 269.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 62741379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).