1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine

C16H21N3 — CID 106561505

IUPAC1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine
SMILESCCCCc1ccc(-n2ccnc2NC2CC2)cc1
InChIInChI=1S/C16H21N3/c1-2-3-4-13-5-9-15(10-6-13)19-12-11-17-16(19)18-14-7-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyBXHQEZCFPDBDAV-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.79
Rot. Bonds6

About 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine

1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine (PubChem CID 106561505) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine
PubChem CID106561505
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine
SMILESCCCCc1ccc(-n2ccnc2NC2CC2)cc1
InChIInChI=1S/C16H21N3/c1-2-3-4-13-5-9-15(10-6-13)19-12-11-17-16(19)18-14-7-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyBXHQEZCFPDBDAV-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine
CID 106555769
N-cyclopentyl-1-(3-ethylphenyl)imidazol-2-amine
CID 106559803
N-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]imidazol-2-amine
CID 106557401
N-cyclopropyl-4-methyl-1-(4-propylphenyl)imidazol-2-amine
CID 106561564
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-cyclopentyl-1-(3,4-dimethylphenyl)imidazol-2-amine
CID 106560237
N-phenyl-1-(4-propylphenyl)imidazol-2-amine
CID 106561518
N-(3,5-dimethylcyclohexyl)-1-phenylimidazol-2-amine
CID 106575351
N-(1-phenylimidazol-2-yl)piperidin-4-amine
CID 115044800
1-(3-bromo-4-chlorophenyl)-N-cyclopropylimidazol-2-amine
CID 106576642
N-cyclopentyl-1-(3-ethoxyphenyl)imidazol-2-amine
CID 106566737
N-(4-butylphenyl)-1-methylimidazol-2-amine
CID 106561515

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine?
The IUPAC name of 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine (CID 106561505) is 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine.
What is the SMILES notation for 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine?
The canonical SMILES for 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine is CCCCc1ccc(-n2ccnc2NC2CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine?
The InChIKey is BXHQEZCFPDBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-3-4-13-5-9-15(10-6-13)19-12-11-17-16(19)18-14-7-8-14/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine?
1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-cyclopropylimidazol-2-amine is sourced from PubChem (CID 106561505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).