(2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide

C14H21N5O — CID 126440569

IUPAC(2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide
SMILESCc1nccn1[C@@H](C)C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C14H21N5O/c1-10(2)18-7-6-16-13(18)9-17-14(20)11(3)19-8-5-15-12(19)4/h5-8,10-11H,9H2,1-4H3,(H,17,20)/t11-/m0/s1
InChIKeySITBRBUYHBCUIR-NSHDSACASA-N
MW275.36 g/mol
LogP1.85
Rot. Bonds5

About (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide

(2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide (PubChem CID 126440569) 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-propan-2-ylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide
PubChem CID126440569
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide
SMILESCc1nccn1[C@@H](C)C(=O)NCc1nccn1C(C)C
InChIInChI=1S/C14H21N5O/c1-10(2)18-7-6-16-13(18)9-17-14(20)11(3)19-8-5-15-12(19)4/h5-8,10-11H,9H2,1-4H3,(H,17,20)/t11-/m0/s1
InChIKeySITBRBUYHBCUIR-NSHDSACASA-N
XLogP1.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide (CID 126440569) is (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide is Cc1nccn1[C@@H](C)C(=O)NCc1nccn1C(C)C.
What is the InChIKey of (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide?
The InChIKey is SITBRBUYHBCUIR-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O/c1-10(2)18-7-6-16-13(18)9-17-14(20)11(3)19-8-5-15-12(19)4/h5-8,10-11H,9H2,1-4H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide?
(2S)-2-(2-methylimidazol-1-yl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]propanamide has a molecular weight of 275.36 g/mol, XLogP of 1.85, 5 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-propan-2-ylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 126440569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).