N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide

C24H28N4O — CID 43918037

IUPACN-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1nccn1Cc1ccc(CNC(=O)c2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C24H28N4O/c1-19-25-12-15-28(19)18-22-6-4-20(5-7-22)16-26-24(29)23-10-8-21(9-11-23)17-27-13-2-3-14-27/h4-12,15H,2-3,13-14,16-18H2,1H3,(H,26,29)
InChIKeyCICSVYDTFIZBMG-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.77
Rot. Bonds7

About N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 43918037) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID43918037
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1nccn1Cc1ccc(CNC(=O)c2ccc(CN3CCCC3)cc2)cc1
InChIInChI=1S/C24H28N4O/c1-19-25-12-15-28(19)18-22-6-4-20(5-7-22)16-26-24(29)23-10-8-21(9-11-23)17-27-13-2-3-14-27/h4-12,15H,2-3,13-14,16-18H2,1H3,(H,26,29)
InChIKeyCICSVYDTFIZBMG-UHFFFAOYSA-N
XLogP3.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43918185
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917353
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918019
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 43917632
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917335
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239674

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 43918037) is N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide is Cc1nccn1Cc1ccc(CNC(=O)c2ccc(CN3CCCC3)cc2)cc1.
What is the InChIKey of N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is CICSVYDTFIZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19-25-12-15-28(19)18-22-6-4-20(5-7-22)16-26-24(29)23-10-8-21(9-11-23)17-27-13-2-3-14-27/h4-12,15H,2-3,13-14,16-18H2,1H3,(H,26,29).
What are the key properties of N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 388.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 43918037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).