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

C20H21N5O2 — CID 49083686

IUPAC4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C20H21N5O2/c1-14-22-10-11-25(14)18-5-3-2-4-17(18)13-23-19(26)16-8-6-15(7-9-16)12-24-20(21)27/h2-11H,12-13H2,1H3,(H,23,26)(H3,21,24,27)
InChIKeyNQERGUACFQJULX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.28
Rot. Bonds6

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

4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (PubChem CID 49083686) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
PubChem CID49083686
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
SMILESCc1nccn1-c1ccccc1CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C20H21N5O2/c1-14-22-10-11-25(14)18-5-3-2-4-17(18)13-23-19(26)16-8-6-15(7-9-16)12-24-20(21)27/h2-11H,12-13H2,1H3,(H,23,26)(H3,21,24,27)
InChIKeyNQERGUACFQJULX-UHFFFAOYSA-N
XLogP2.28
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28631742
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
4-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 92675796
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 46772071
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28578789
(2S)-2-benzylsulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92678022
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 43910024
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72936219

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide (CID 49083686) is 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is NQERGUACFQJULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-22-10-11-25(14)18-5-3-2-4-17(18)13-23-19(26)16-8-6-15(7-9-16)12-24-20(21)27/h2-11H,12-13H2,1H3,(H,23,26)(H3,21,24,27).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide?
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 49083686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).