N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide

C25H28FN3O — CID 42819568

IUPACN-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1cc(C)c(Cn2ccnc2CN(CC2CC2)C(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C25H28FN3O/c1-17-12-18(2)22(19(3)13-17)15-28-11-10-27-24(28)16-29(14-20-8-9-20)25(30)21-6-4-5-7-23(21)26/h4-7,10-13,20H,8-9,14-16H2,1-3H3
InChIKeyUZBZVMVBNMYXQU-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.05
Rot. Bonds7

About N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide

N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide (PubChem CID 42819568) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide
PubChem CID42819568
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1cc(C)c(Cn2ccnc2CN(CC2CC2)C(=O)c2ccccc2F)c(C)c1
InChIInChI=1S/C25H28FN3O/c1-17-12-18(2)22(19(3)13-17)15-28-11-10-27-24(28)16-29(14-20-8-9-20)25(30)21-6-4-5-7-23(21)26/h4-7,10-13,20H,8-9,14-16H2,1-3H3
InChIKeyUZBZVMVBNMYXQU-UHFFFAOYSA-N
XLogP5.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide (CID 42819568) is N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide is Cc1cc(C)c(Cn2ccnc2CN(CC2CC2)C(=O)c2ccccc2F)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide?
The InChIKey is UZBZVMVBNMYXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-17-12-18(2)22(19(3)13-17)15-28-11-10-27-24(28)16-29(14-20-8-9-20)25(30)21-6-4-5-7-23(21)26/h4-7,10-13,20H,8-9,14-16H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide?
N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 42819568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).