1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile

C16H17N3O — CID 116882236

IUPAC1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
SMILESCOc1ccc(-c2cnc(C3(C#N)CCC3)[nH]2)cc1C
InChIInChI=1S/C16H17N3O/c1-11-8-12(4-5-14(11)20-2)13-9-18-15(19-13)16(10-17)6-3-7-16/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyVOYBCNVHQHCWSU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds3

About 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile

1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile (PubChem CID 116882236) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
PubChem CID116882236
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
SMILESCOc1ccc(-c2cnc(C3(C#N)CCC3)[nH]2)cc1C
InChIInChI=1S/C16H17N3O/c1-11-8-12(4-5-14(11)20-2)13-9-18-15(19-13)16(10-17)6-3-7-16/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyVOYBCNVHQHCWSU-UHFFFAOYSA-N
XLogP3.34
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881844
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881851
1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882227
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882265
1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881914
1-[5-(3-bromophenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881915
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882580
4-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]piperidine
CID 95474427
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile (CID 116882236) is 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile is COc1ccc(-c2cnc(C3(C#N)CCC3)[nH]2)cc1C.
What is the InChIKey of 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
The InChIKey is VOYBCNVHQHCWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-8-12(4-5-14(11)20-2)13-9-18-15(19-13)16(10-17)6-3-7-16/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile?
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile has a molecular weight of 267.33 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 1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).