2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide

C26H26N4O2 — CID 46541611

IUPAC2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3cccc(NC(=O)C(C)C)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-17(2)25(31)29-21-9-7-8-19(14-21)16-27-26(32)20-12-13-24-23(15-20)28-18(3)30(24)22-10-5-4-6-11-22/h4-15,17H,16H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyOEBYTHWKTGHZFQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.86
Rot. Bonds6

About 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide

2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide (PubChem CID 46541611) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
PubChem CID46541611
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3cccc(NC(=O)C(C)C)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C26H26N4O2/c1-17(2)25(31)29-21-9-7-8-19(14-21)16-27-26(32)20-12-13-24-23(15-20)28-18(3)30(24)22-10-5-4-6-11-22/h4-15,17H,16H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyOEBYTHWKTGHZFQ-UHFFFAOYSA-N
XLogP4.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 55505787
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 46981643
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 46541622
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 27362425
1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 6617180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide (CID 46541611) is 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3cccc(NC(=O)C(C)C)c3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is OEBYTHWKTGHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17(2)25(31)29-21-9-7-8-19(14-21)16-27-26(32)20-12-13-24-23(15-20)28-18(3)30(24)22-10-5-4-6-11-22/h4-15,17H,16H2,1-3H3,(H,27,32)(H,29,31).
What are the key properties of 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide?
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 46541611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).