2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole

C17H20N2O — CID 679624

IUPAC2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole
SMILESCCOc1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C17H20N2O/c1-4-20-14-11-9-13(10-12-14)17-18(2)15-7-5-6-8-16(15)19(17)3/h5-12,17H,4H2,1-3H3
InChIKeyNAUNGXOLCAXCQZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole

2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole (PubChem CID 679624) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole
PubChem CID679624
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole
SMILESCCOc1ccc(C2N(C)c3ccccc3N2C)cc1
InChIInChI=1S/C17H20N2O/c1-4-20-14-11-9-13(10-12-14)17-18(2)15-7-5-6-8-16(15)19(17)3/h5-12,17H,4H2,1-3H3
InChIKeyNAUNGXOLCAXCQZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
CID 773463
1-(4-Methoxybenzyl)-1H-benzimidazole-2-thiol
CID 703809
4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol-2-one
CID 9817253
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
N-[(4-ethoxyphenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 755971
1,3-Dihydro-1-(2-(2-methylphenoxy)ethyl)-2H-benzimidazole-2-thione
CID 773461
ethyl 3-(4-methoxybenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
CID 1484101
5-{[4-(allyloxy)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 2215000
1-(2-Fluorophenyl)-4-[4-(3-fluoropropoxy)benzyl]piperazine
CID 3726733
1-(3-phenoxypropyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 649414
1H-Benzimidazole, 2,3-dihydro-2-(4-methoxyphenyl)-1,3-dimethyl-
CID 759319
Cambridge id 5268729
CID 785703

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
The IUPAC name of 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole (CID 679624) is 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole is CCOc1ccc(C2N(C)c3ccccc3N2C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
The InChIKey is NAUNGXOLCAXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-20-14-11-9-13(10-12-14)17-18(2)15-7-5-6-8-16(15)19(17)3/h5-12,17H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole?
2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole has a molecular weight of 268.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1,3-dimethyl-2H-benzimidazole is sourced from PubChem (CID 679624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).