N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline

C24H31N3 — CID 20721205

IUPACN-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
SMILESCCCCN(Cc1cnc(-c2ccccc2)n1CCCC)c1ccccc1
InChIInChI=1S/C24H31N3/c1-3-5-17-26(22-15-11-8-12-16-22)20-23-19-25-24(27(23)18-6-4-2)21-13-9-7-10-14-21/h7-16,19H,3-6,17-18,20H2,1-2H3
InChIKeyNTFULGWRWANVBC-UHFFFAOYSA-N
MW361.53 g/mol
LogP6.16
Rot. Bonds10

About N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline

N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline (PubChem CID 20721205) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound NameN-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
PubChem CID20721205
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC NameN-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline
SMILESCCCCN(Cc1cnc(-c2ccccc2)n1CCCC)c1ccccc1
InChIInChI=1S/C24H31N3/c1-3-5-17-26(22-15-11-8-12-16-22)20-23-19-25-24(27(23)18-6-4-2)21-13-9-7-10-14-21/h7-16,19H,3-6,17-18,20H2,1-2H3
InChIKeyNTFULGWRWANVBC-UHFFFAOYSA-N
XLogP6.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
4-[[benzyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-N-methylaniline
CID 10181651
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-2-phenylethanamine
CID 69326113
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(3,4-dimethylphenyl)methyl]-2-phenylethanamine
CID 69325911
5-[[butyl-[(3-butyl-2-phenylimidazol-4-yl)methyl]amino]methyl]-2-hydroxybenzoic acid
CID 69325498
1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
CID 175241563
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-(4-ethoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
CID 69326007
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-naphthalen-1-yl-N-[(2,4,6-trichlorophenyl)methyl]methanamine
CID 69326080
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)prop-2-en-1-amine
CID 69325821
N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 69327062

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline?
The IUPAC name of N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline (CID 20721205) is N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline?
The canonical SMILES for N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline is CCCCN(Cc1cnc(-c2ccccc2)n1CCCC)c1ccccc1.
What is the InChIKey of N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline?
The InChIKey is NTFULGWRWANVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-3-5-17-26(22-15-11-8-12-16-22)20-23-19-25-24(27(23)18-6-4-2)21-13-9-7-10-14-21/h7-16,19H,3-6,17-18,20H2,1-2H3.
What are the key properties of N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline?
N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline has a molecular weight of 361.53 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 20721205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).