methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate

C18H19N3O2 — CID 143959536

IUPACmethyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(Nc3c(C)cc(C)cc3C)nc12
InChIInChI=1S/C18H19N3O2/c1-10-8-11(2)15(12(3)9-10)20-18-19-14-7-5-6-13(16(14)21-18)17(22)23-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyJWXVUGOPBVCNNN-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.02
Rot. Bonds3

About methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate

methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate (PubChem CID 143959536) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate
PubChem CID143959536
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namemethyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(Nc3c(C)cc(C)cc3C)nc12
InChIInChI=1S/C18H19N3O2/c1-10-8-11(2)15(12(3)9-10)20-18-19-14-7-5-6-13(16(14)21-18)17(22)23-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyJWXVUGOPBVCNNN-UHFFFAOYSA-N
XLogP4.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yl-N-(2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 143959547
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
N-(2,4,6-trimethylphenyl)-1H-imidazo[4,5-b]pyridin-2-amine
CID 91455813
methyl 2-formyl-1H-benzimidazole-4-carboxylate
CID 18354851
methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
methyl 2-[(1S)-1-hydroxyethyl]-1H-benzimidazole-4-carboxylate
CID 115357702
methyl 7-(2,6-dichloroanilino)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxylate
CID 67503962
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
methyl 2-(4-methoxythiophen-2-yl)-1H-benzimidazole-4-carboxylate
CID 115357609
methyl 2-[(E)-2-(4-methoxy-3-methylphenyl)ethenyl]-1H-benzimidazole-4-carboxylate;phosphoric acid
CID 14254648
methyl 2-[(3-ethynylpyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylate
CID 87211815
methyl 2-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazole-4-carboxylate
CID 90331343

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate (CID 143959536) is methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(Nc3c(C)cc(C)cc3C)nc12.
What is the InChIKey of methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate?
The InChIKey is JWXVUGOPBVCNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-10-8-11(2)15(12(3)9-10)20-18-19-14-7-5-6-13(16(14)21-18)17(22)23-4/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate?
methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4,6-trimethylanilino)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 143959536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).