4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide

C25H23ClN4O2 — CID 42819222

IUPAC4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(Cn2ccnc2CN(Cc2ccncc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-32-23-8-2-19(3-9-23)16-29-15-14-28-24(29)18-30(17-20-10-12-27-13-11-20)25(31)21-4-6-22(26)7-5-21/h2-15H,16-18H2,1H3
InChIKeyZIFDWLVHZYNASR-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.83
Rot. Bonds8

About 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide

4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 42819222) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID42819222
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(Cn2ccnc2CN(Cc2ccncc2)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H23ClN4O2/c1-32-23-8-2-19(3-9-23)16-29-15-14-28-24(29)18-30(17-20-10-12-27-13-11-20)25(31)21-4-6-22(26)7-5-21/h2-15H,16-18H2,1H3
InChIKeyZIFDWLVHZYNASR-UHFFFAOYSA-N
XLogP4.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42819277
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
3-ethyl-1-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-methylurea
CID 42819635
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
CID 42819247
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
N-[bis[(4-methoxyphenyl)methyl]carbamothioyl]-4-chlorobenzamide
CID 87073657
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054840
3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide (CID 42819222) is 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(Cn2ccnc2CN(Cc2ccncc2)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is ZIFDWLVHZYNASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-32-23-8-2-19(3-9-23)16-29-15-14-28-24(29)18-30(17-20-10-12-27-13-11-20)25(31)21-4-6-22(26)7-5-21/h2-15H,16-18H2,1H3.
What are the key properties of 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide?
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 446.94 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 42819222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).