2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide

C18H22N4O — CID 167873075

IUPAC2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C34CC3CCC4N)cc2)c1C
InChIInChI=1S/C18H22N4O/c1-11-12(2)22(10-20-11)15-6-4-14(5-7-15)21-17(23)18-9-13(18)3-8-16(18)19/h4-7,10,13,16H,3,8-9,19H2,1-2H3,(H,21,23)
InChIKeyBKTDXXQJPQGXBS-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide

2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 167873075) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide
PubChem CID167873075
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C34CC3CCC4N)cc2)c1C
InChIInChI=1S/C18H22N4O/c1-11-12(2)22(10-20-11)15-6-4-14(5-7-15)21-17(23)18-9-13(18)3-8-16(18)19/h4-7,10,13,16H,3,8-9,19H2,1-2H3,(H,21,23)
InChIKeyBKTDXXQJPQGXBS-UHFFFAOYSA-N
XLogP2.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxycyclobutane-1-carboxamide
CID 167848155
1-amino-3-(difluoromethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclobutane-1-carboxamide
CID 166299186
cis-(1S,2S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-fluoro-2-phenylcyclopropane-1-carboxamide
CID 166350083
1-cyano-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 167980158
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3,4,5,6,7,8,8a-octahydro-1H-cyclohepta[b]pyrrole-3a-carboxamide
CID 167809894
3-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166299122
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-N',N'-dimethylpropanediamide
CID 166215428
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 167905834
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide (CID 167873075) is 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide is Cc1ncn(-c2ccc(NC(=O)C34CC3CCC4N)cc2)c1C.
What is the InChIKey of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is BKTDXXQJPQGXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11-12(2)22(10-20-11)15-6-4-14(5-7-15)21-17(23)18-9-13(18)3-8-16(18)19/h4-7,10,13,16H,3,8-9,19H2,1-2H3,(H,21,23).
What are the key properties of 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide?
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]bicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 167873075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).