N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C24H22N4O2 — CID 155516452

IUPACN-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C24H22N4O2/c29-23(15-26-24(30)20-9-2-1-3-10-20)25-14-18-7-6-8-19(13-18)16-28-17-27-21-11-4-5-12-22(21)28/h1-13,17H,14-16H2,(H,25,29)(H,26,30)
InChIKeyLGUPGRDTSJMJKF-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 155516452) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID155516452
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCc1cccc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C24H22N4O2/c29-23(15-26-24(30)20-9-2-1-3-10-20)25-14-18-7-6-8-19(13-18)16-28-17-27-21-11-4-5-12-22(21)28/h1-13,17H,14-16H2,(H,25,29)(H,26,30)
InChIKeyLGUPGRDTSJMJKF-UHFFFAOYSA-N
XLogP3.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 154859119
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-5-(carbamoylamino)pentanamide
CID 60602251
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-4-cyano-3-fluorobenzamide
CID 155536361
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014574
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122004444
(3R)-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]oxolane-3-carboxamide
CID 129369123
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941556
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(4-hydroxy-4-phenylbutan-2-yl)urea
CID 166218064
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 155516452) is N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCc1cccc(Cn2cnc3ccccc32)c1.
What is the InChIKey of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is LGUPGRDTSJMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(15-26-24(30)20-9-2-1-3-10-20)25-14-18-7-6-8-19(13-18)16-28-17-27-21-11-4-5-12-22(21)28/h1-13,17H,14-16H2,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 155516452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).