N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide

C24H22N4OS — CID 131940335

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C24H22N4OS/c1-18-25-14-15-28(18)16-21-6-2-3-7-22(21)27-24(29)20-11-9-19(10-12-20)17-30-23-8-4-5-13-26-23/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeyQKIDYXIBOYVQIF-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.18
Rot. Bonds7

About N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide (PubChem CID 131940335) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
PubChem CID131940335
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
SMILESCc1nccn1Cc1ccccc1NC(=O)c1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C24H22N4OS/c1-18-25-14-15-28(18)16-21-6-2-3-7-22(21)27-24(29)20-11-9-19(10-12-20)17-30-23-8-4-5-13-26-23/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeyQKIDYXIBOYVQIF-UHFFFAOYSA-N
XLogP5.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-(5-chloro-2-methylphenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 980324
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131932897
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
CID 131905021
2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 154912858
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56577246
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
(2S)-2-acetamido-4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]pentanamide
CID 131908048

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide (CID 131940335) is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide is Cc1nccn1Cc1ccccc1NC(=O)c1ccc(CSc2ccccn2)cc1.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
The InChIKey is QKIDYXIBOYVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-18-25-14-15-28(18)16-21-6-2-3-7-22(21)27-24(29)20-11-9-19(10-12-20)17-30-23-8-4-5-13-26-23/h2-15H,16-17H2,1H3,(H,27,29).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide?
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide has a molecular weight of 414.53 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 131940335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).