1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile

C15H15N3 — CID 116881844

IUPAC1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESCc1ccc(-c2cnc(C3(C#N)CC3)[nH]2)cc1C
InChIInChI=1S/C15H15N3/c1-10-3-4-12(7-11(10)2)13-8-17-14(18-13)15(9-16)5-6-15/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
InChIKeyPQFOCJDZLLOMBL-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.25
Rot. Bonds2

About 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile

1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (PubChem CID 116881844) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
PubChem CID116881844
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
SMILESCc1ccc(-c2cnc(C3(C#N)CC3)[nH]2)cc1C
InChIInChI=1S/C15H15N3/c1-10-3-4-12(7-11(10)2)13-8-17-14(18-13)15(9-16)5-6-15/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
InChIKeyPQFOCJDZLLOMBL-UHFFFAOYSA-N
XLogP3.25
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile
CID 116881851
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882236
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
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
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
1-(5-thiophen-2-yl-1H-imidazol-2-yl)cyclopropane-1-carbonitrile
CID 116881838
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882538
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
3-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882557
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile (CID 116881844) is 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile is Cc1ccc(-c2cnc(C3(C#N)CC3)[nH]2)cc1C.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
The InChIKey is PQFOCJDZLLOMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-3-4-12(7-11(10)2)13-8-17-14(18-13)15(9-16)5-6-15/h3-4,7-8H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile?
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116881844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).