N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

C26H28N4O — CID 16964092

IUPACN-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C)c(Cn2c(CN(C)C(=O)c3cccnc3)nc3ccccc32)c1C
InChIInChI=1S/C26H28N4O/c1-17-13-18(2)20(4)22(19(17)3)15-30-24-11-7-6-10-23(24)28-25(30)16-29(5)26(31)21-9-8-12-27-14-21/h6-14H,15-16H2,1-5H3
InChIKeyCXXMPKGIVQSPHF-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.99
Rot. Bonds5

About N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide

N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 16964092) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
PubChem CID16964092
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC NameN-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C)c(Cn2c(CN(C)C(=O)c3cccnc3)nc3ccccc32)c1C
InChIInChI=1S/C26H28N4O/c1-17-13-18(2)20(4)22(19(17)3)15-30-24-11-7-6-10-23(24)28-25(30)16-29(5)26(31)21-9-8-12-27-14-21/h6-14H,15-16H2,1-5H3
InChIKeyCXXMPKGIVQSPHF-UHFFFAOYSA-N
XLogP4.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964075
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964187
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964202
N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964156
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964123
N-[[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964193
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965721
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965732
N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965703
N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide (CID 16964092) is N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is Cc1cc(C)c(C)c(Cn2c(CN(C)C(=O)c3cccnc3)nc3ccccc32)c1C.
What is the InChIKey of N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is CXXMPKGIVQSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-17-13-18(2)20(4)22(19(17)3)15-30-24-11-7-6-10-23(24)28-25(30)16-29(5)26(31)21-9-8-12-27-14-21/h6-14H,15-16H2,1-5H3.
What are the key properties of N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide?
N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).