(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide

C18H22N4O — CID 155959241

IUPAC(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESC[C@]12CC[C@H]1CCN2C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C18H22N4O/c1-18-7-5-15(18)6-9-22(18)17(23)20-16-4-2-3-14(11-16)12-21-10-8-19-13-21/h2-4,8,10-11,13,15H,5-7,9,12H2,1H3,(H,20,23)/t15-,18-/m0/s1
InChIKeyOHYGBNTUHAACSZ-YJBOKZPZSA-N
MW310.40 g/mol
LogP3.34
Rot. Bonds3

About (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide

(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 155959241) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID155959241
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESC[C@]12CC[C@H]1CCN2C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C18H22N4O/c1-18-7-5-15(18)6-9-22(18)17(23)20-16-4-2-3-14(11-16)12-21-10-8-19-13-21/h2-4,8,10-11,13,15H,5-7,9,12H2,1H3,(H,20,23)/t15-,18-/m0/s1
InChIKeyOHYGBNTUHAACSZ-YJBOKZPZSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.34
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,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide (CID 155959241) is (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is C[C@]12CC[C@H]1CCN2C(=O)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is OHYGBNTUHAACSZ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18-7-5-15(18)6-9-22(18)17(23)20-16-4-2-3-14(11-16)12-21-10-8-19-13-21/h2-4,8,10-11,13,15H,5-7,9,12H2,1H3,(H,20,23)/t15-,18-/m0/s1.
What are the key properties of (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide?
(1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methyl-2-azabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 155959241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).