(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C19H24FN3O — CID 126428940

IUPAC(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ncn(CCNC(=O)[C@@]2(c3ccccc3F)CC2(C)C)c1C
InChIInChI=1S/C19H24FN3O/c1-13-14(2)23(12-22-13)10-9-21-17(24)19(11-18(19,3)4)15-7-5-6-8-16(15)20/h5-8,12H,9-11H2,1-4H3,(H,21,24)/t19-/m0/s1
InChIKeyVOHROMGAAHYQJO-IBGZPJMESA-N
MW329.42 g/mol
LogP3.12
Rot. Bonds5

About (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 126428940) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID126428940
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ncn(CCNC(=O)[C@@]2(c3ccccc3F)CC2(C)C)c1C
InChIInChI=1S/C19H24FN3O/c1-13-14(2)23(12-22-13)10-9-21-17(24)19(11-18(19,3)4)15-7-5-6-8-16(15)20/h5-8,12H,9-11H2,1-4H3,(H,21,24)/t19-/m0/s1
InChIKeyVOHROMGAAHYQJO-IBGZPJMESA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 126428940) is (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is Cc1ncn(CCNC(=O)[C@@]2(c3ccccc3F)CC2(C)C)c1C.
What is the InChIKey of (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is VOHROMGAAHYQJO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24FN3O/c1-13-14(2)23(12-22-13)10-9-21-17(24)19(11-18(19,3)4)15-7-5-6-8-16(15)20/h5-8,12H,9-11H2,1-4H3,(H,21,24)/t19-/m0/s1.
What are the key properties of (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 126428940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).