(2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide

C14H21N5O — CID 126428216

IUPAC(2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)[C@H](C)n2ccnc2C)n(C)c1C
InChIInChI=1S/C14H21N5O/c1-9-10(2)18(5)13(17-9)8-16-14(20)11(3)19-7-6-15-12(19)4/h6-7,11H,8H2,1-5H3,(H,16,20)/t11-/m0/s1
InChIKeyKKANCPZUZOYYFS-NSHDSACASA-N
MW275.36 g/mol
LogP1.42
Rot. Bonds4

About (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide

(2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide (PubChem CID 126428216) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide
PubChem CID126428216
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)[C@H](C)n2ccnc2C)n(C)c1C
InChIInChI=1S/C14H21N5O/c1-9-10(2)18(5)13(17-9)8-16-14(20)11(3)19-7-6-15-12(19)4/h6-7,11H,8H2,1-5H3,(H,16,20)/t11-/m0/s1
InChIKeyKKANCPZUZOYYFS-NSHDSACASA-N
XLogP1.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide 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 (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide (CID 126428216) is (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide is Cc1nc(CNC(=O)[C@H](C)n2ccnc2C)n(C)c1C.
What is the InChIKey of (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
The InChIKey is KKANCPZUZOYYFS-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-10(2)18(5)13(17-9)8-16-14(20)11(3)19-7-6-15-12(19)4/h6-7,11H,8H2,1-5H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
(2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide has a molecular weight of 275.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylimidazol-1-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 126428216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).