N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine

C31H35F2N3 — CID 69327348

IUPACN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(F)c(F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C31H35F2N3/c1-3-5-19-35(22-24-17-18-27(32)28(33)21-24)23-29-30(25-13-9-7-10-14-25)34-31(36(29)20-6-4-2)26-15-11-8-12-16-26/h7-18,21H,3-6,19-20,22-23H2,1-2H3
InChIKeyPQQQRIMOCPOEBK-UHFFFAOYSA-N
MW487.64 g/mol
LogP8.10
Rot. Bonds12

About N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine (PubChem CID 69327348) has the molecular formula C31H35F2N3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
PubChem CID69327348
Molecular FormulaC31H35F2N3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC NameN-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine
SMILESCCCCN(Cc1ccc(F)c(F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC
InChIInChI=1S/C31H35F2N3/c1-3-5-19-35(22-24-17-18-27(32)28(33)21-24)23-29-30(25-13-9-7-10-14-25)34-31(36(29)20-6-4-2)26-15-11-8-12-16-26/h7-18,21H,3-6,19-20,22-23H2,1-2H3
InChIKeyPQQQRIMOCPOEBK-UHFFFAOYSA-N
XLogP8.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 69326461
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3-chlorophenyl)methyl]butan-1-amine
CID 69325801
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylmethanamine
CID 18438536
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(4-methoxy-3-methylphenyl)methyl]butan-1-amine
CID 18438342
3-[[butyl-[[3-butyl-5-(4-fluorophenyl)-2-phenylimidazol-4-yl]methyl]amino]methyl]phenol
CID 69326478
N-[(4-butoxyphenyl)methyl]-N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]butan-1-amine
CID 69325654
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine
CID 69325436
N-[[3-butyl-5-(4-chlorophenyl)-2-phenylimidazol-4-yl]methyl]-N-[(2-chloro-4-fluorophenyl)methyl]butan-1-amine
CID 69326085
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2-chloro-6-fluorophenyl)methyl]butan-1-amine
CID 69325538
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2-methylphenyl)methyl]butan-1-amine
CID 69326948
5-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]-2-nitrophenol
CID 69302769
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[[4-(methylsulfanylmethoxy)phenyl]methyl]butan-1-amine
CID 69325515

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine (CID 69327348) is N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine is CCCCN(Cc1ccc(F)c(F)c1)Cc1c(-c2ccccc2)nc(-c2ccccc2)n1CCCC.
What is the InChIKey of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine?
The InChIKey is PQQQRIMOCPOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N3/c1-3-5-19-35(22-24-17-18-27(32)28(33)21-24)23-29-30(25-13-9-7-10-14-25)34-31(36(29)20-6-4-2)26-15-11-8-12-16-26/h7-18,21H,3-6,19-20,22-23H2,1-2H3.
What are the key properties of N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine?
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine has a molecular weight of 487.64 g/mol, XLogP of 8.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(3,4-difluorophenyl)methyl]butan-1-amine is sourced from PubChem (CID 69327348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).