N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide

C22H25FN4O — CID 42819353

IUPACN-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)CC(=O)N(Cc1cccnc1)Cc1nccn1Cc1ccc(F)cc1
InChIInChI=1S/C22H25FN4O/c1-17(2)12-22(28)27(15-19-4-3-9-24-13-19)16-21-25-10-11-26(21)14-18-5-7-20(23)8-6-18/h3-11,13,17H,12,14-16H2,1-2H3
InChIKeyWDILQCMIUIOKOS-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.04
Rot. Bonds8

About N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide

N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 42819353) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID42819353
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)CC(=O)N(Cc1cccnc1)Cc1nccn1Cc1ccc(F)cc1
InChIInChI=1S/C22H25FN4O/c1-17(2)12-22(28)27(15-19-4-3-9-24-13-19)16-21-25-10-11-26(21)14-18-5-7-20(23)8-6-18/h3-11,13,17H,12,14-16H2,1-2H3
InChIKeyWDILQCMIUIOKOS-UHFFFAOYSA-N
XLogP4.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
3-methyl-N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-methylpropyl)butanamide
CID 42819409
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 42819476
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 42819048
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 42819044
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42819456
N-(2-methoxyethyl)-3-methyl-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]butanamide
CID 42819437
N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
CID 42819247
3-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]butanamide
CID 83280017
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42819335
3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 42819353) is N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)CC(=O)N(Cc1cccnc1)Cc1nccn1Cc1ccc(F)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is WDILQCMIUIOKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-17(2)12-22(28)27(15-19-4-3-9-24-13-19)16-21-25-10-11-26(21)14-18-5-7-20(23)8-6-18/h3-11,13,17H,12,14-16H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 380.47 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 42819353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).