(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate

C16H17N3O3 — CID 75399574

IUPAC(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate
SMILESCn1ccnc1COC(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H17N3O3/c1-19-9-8-17-14(19)10-22-16(21)12-4-2-11(3-5-12)15(20)18-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,18,20)
InChIKeyYBGUFQARIHFPDD-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.67
Rot. Bonds5

About (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate

(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate (PubChem CID 75399574) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate
PubChem CID75399574
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate
SMILESCn1ccnc1COC(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C16H17N3O3/c1-19-9-8-17-14(19)10-22-16(21)12-4-2-11(3-5-12)15(20)18-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,18,20)
InChIKeyYBGUFQARIHFPDD-UHFFFAOYSA-N
XLogP1.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)methyl 3-chloro-4-methylbenzoate
CID 71912654
(1-methylimidazol-2-yl)methyl 4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)benzoate
CID 75509716
4-[(1-methylimidazol-2-yl)methoxy]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55874723
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55791150
(1-methylimidazol-2-yl)methyl 4-fluoro-3-methoxybenzoate
CID 75515501
[(2R)-oxolan-2-yl]methyl 4-[(1-methylimidazol-2-yl)methoxy]benzoate
CID 97185490
methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
methyl 4-[2-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]ethyl]benzoate
CID 55736473
N-(3,4-dihydro-2H-chromen-4-yl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 47038296
(1-methylimidazol-2-yl)methyl propanoate
CID 166101479
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate?
The IUPAC name of (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate (CID 75399574) is (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate.
What is the SMILES notation for (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate?
The canonical SMILES for (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate is Cn1ccnc1COC(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate?
The InChIKey is YBGUFQARIHFPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19-9-8-17-14(19)10-22-16(21)12-4-2-11(3-5-12)15(20)18-13-6-7-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,18,20).
What are the key properties of (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate?
(1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate has a molecular weight of 299.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)methyl 4-(cyclopropylcarbamoyl)benzoate is sourced from PubChem (CID 75399574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).