(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate

C15H16ClN3O2 — CID 65127477

IUPAC(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
SMILESNC1(c2ncc(C(=O)OCc3cccc(Cl)c3)[nH]2)CCC1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-1-3-10(7-11)9-21-13(20)12-8-18-14(19-12)15(17)5-2-6-15/h1,3-4,7-8H,2,5-6,9,17H2,(H,18,19)
InChIKeyQTCKNBMQZSLUSL-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.76
Rot. Bonds4

About (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate

(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate (PubChem CID 65127477) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
PubChem CID65127477
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
SMILESNC1(c2ncc(C(=O)OCc3cccc(Cl)c3)[nH]2)CCC1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-1-3-10(7-11)9-21-13(20)12-8-18-14(19-12)15(17)5-2-6-15/h1,3-4,7-8H,2,5-6,9,17H2,(H,18,19)
InChIKeyQTCKNBMQZSLUSL-UHFFFAOYSA-N
XLogP2.76
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)methyl 6-oxo-1H-pyridine-2-carboxylate
CID 24755074
(3-chlorophenyl)methyl 3-amino-1H-pyrazole-5-carboxylate
CID 65127067
(3-chlorophenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 65127010
oxolan-2-ylmethyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate
CID 61279680
(3-chlorophenyl)methyl 2-(1-aminocyclopentyl)acetate
CID 65127171
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
(3-chlorophenyl)methyl 5-amino-1H-indole-2-carboxylate
CID 107363378
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
(3-chlorophenyl)methyl 5-bromo-2-chloropyridine-3-carboxylate
CID 62736574
argon;(3-chlorophenyl)methyl benzoate
CID 174492322

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate (CID 65127477) is (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate is NC1(c2ncc(C(=O)OCc3cccc(Cl)c3)[nH]2)CCC1.
What is the InChIKey of (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
The InChIKey is QTCKNBMQZSLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-4-1-3-10(7-11)9-21-13(20)12-8-18-14(19-12)15(17)5-2-6-15/h1,3-4,7-8H,2,5-6,9,17H2,(H,18,19).
What are the key properties of (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate?
(3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate has a molecular weight of 305.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-(1-aminocyclobutyl)-1H-imidazole-5-carboxylate is sourced from PubChem (CID 65127477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).