3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine

C15H21N3 — CID 80544302

IUPAC3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCc1ccc(-c2cnc(C(C)CCN)[nH]2)cc1C
InChIInChI=1S/C15H21N3/c1-10-4-5-13(8-12(10)3)14-9-17-15(18-14)11(2)6-7-16/h4-5,8-9,11H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyAWISXRDNUZGEOF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.15
Rot. Bonds4

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

3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 80544302) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID80544302
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCc1ccc(-c2cnc(C(C)CCN)[nH]2)cc1C
InChIInChI=1S/C15H21N3/c1-10-4-5-13(8-12(10)3)14-9-17-15(18-14)11(2)6-7-16/h4-5,8-9,11H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyAWISXRDNUZGEOF-UHFFFAOYSA-N
XLogP3.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544451
2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881641
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544597
2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230425
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 116877009
3-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 116877001
2-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 65233281
3-[5-(furan-2-yl)-1H-imidazol-2-yl]butan-1-amine
CID 80544658
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine
CID 116876985
3-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]butan-1-amine
CID 80544419

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine (CID 80544302) is 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine is Cc1ccc(-c2cnc(C(C)CCN)[nH]2)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is AWISXRDNUZGEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-4-5-13(8-12(10)3)14-9-17-15(18-14)11(2)6-7-16/h4-5,8-9,11H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 80544302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).