(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine

C16H23N3 — CID 104941487

IUPAC(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
SMILESCCCCc1ccc(-n2cncc2[C@H](N)CC)cc1
InChIInChI=1S/C16H23N3/c1-3-5-6-13-7-9-14(10-8-13)19-12-18-11-16(19)15(17)4-2/h7-12,15H,3-6,17H2,1-2H3/t15-/m1/s1
InChIKeyIKIQOLOIGOTKOL-OAHLLOKOSA-N
MW257.38 g/mol
LogP3.62
Rot. Bonds6

About (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine (PubChem CID 104941487) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
PubChem CID104941487
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
SMILESCCCCc1ccc(-n2cncc2[C@H](N)CC)cc1
InChIInChI=1S/C16H23N3/c1-3-5-6-13-7-9-14(10-8-13)19-12-18-11-16(19)15(17)4-2/h7-12,15H,3-6,17H2,1-2H3/t15-/m1/s1
InChIKeyIKIQOLOIGOTKOL-OAHLLOKOSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[5-[(1R)-1-aminoethyl]imidazol-1-yl]phenyl]ethanol
CID 104942381
(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
CID 104941641
(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
CID 114250822
2-[4-[5-(1-amino-2-methylpropyl)imidazol-1-yl]phenyl]ethanol
CID 102969561
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]propan-1-amine
CID 104941535
(1R)-1-(3-quinolin-6-ylimidazol-4-yl)propan-1-amine
CID 104942904
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
(1R)-1-[3-[3-chloro-5-(trifluoromethyl)phenyl]imidazol-4-yl]propan-1-amine
CID 104944066
3-methyl-1-[3-(4-propan-2-yloxyphenyl)imidazol-4-yl]butan-1-amine
CID 114704021
1-(4-butylphenyl)-3-(3-phenylimidazol-4-yl)propan-2-one
CID 161360346
(1R)-1-[3-(4-bromophenyl)imidazol-4-yl]-2-phenylethanamine
CID 104942051
(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
CID 104942155

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine (CID 104941487) is (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine is CCCCc1ccc(-n2cncc2[C@H](N)CC)cc1.
What is the InChIKey of (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine?
The InChIKey is IKIQOLOIGOTKOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-5-6-13-7-9-14(10-8-13)19-12-18-11-16(19)15(17)4-2/h7-12,15H,3-6,17H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104941487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).