N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide

C19H21N5O — CID 166278294

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CC(n4ccnc4)C3)cc2)c1C
InChIInChI=1S/C19H21N5O/c1-13-14(2)24(12-21-13)17-5-3-16(4-6-17)22-19(25)15-9-18(10-15)23-8-7-20-11-23/h3-8,11-12,15,18H,9-10H2,1-2H3,(H,22,25)
InChIKeyBDJHTKWEYBBQLE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.28
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide (PubChem CID 166278294) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
PubChem CID166278294
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)C3CC(n4ccnc4)C3)cc2)c1C
InChIInChI=1S/C19H21N5O/c1-13-14(2)24(12-21-13)17-5-3-16(4-6-17)22-19(25)15-9-18(10-15)23-8-7-20-11-23/h3-8,11-12,15,18H,9-10H2,1-2H3,(H,22,25)
InChIKeyBDJHTKWEYBBQLE-UHFFFAOYSA-N
XLogP3.28
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-4-methylsulfonylcyclohexane-1-carboxamide
CID 166251163
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 166248205
1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
CID 166215537
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylbutanamide
CID 166215592
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
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-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 166285379
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methyl-4,5,6,7-tetrahydrobenzotriazole-5-carboxamide
CID 166215859
2-cyclopropyl-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-hydroxyacetamide
CID 166244572
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1,1-dioxothiazinane-6-carboxamide
CID 166259664
2-amino-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]acetamide
CID 167866582

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide (CID 166278294) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide is Cc1ncn(-c2ccc(NC(=O)C3CC(n4ccnc4)C3)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide?
The InChIKey is BDJHTKWEYBBQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-14(2)24(12-21-13)17-5-3-16(4-6-17)22-19(25)15-9-18(10-15)23-8-7-20-11-23/h3-8,11-12,15,18H,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-imidazol-1-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 166278294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).