2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole

C20H24N2O2 — CID 19224198

IUPAC2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
SMILESCCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCCC(C)C
InChIInChI=1S/C20H24N2O2/c1-4-23-19-13-15(9-10-18(19)24-12-11-14(2)3)20-21-16-7-5-6-8-17(16)22-20/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyZRRAGTMXQDXUKO-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.05
Rot. Bonds7

About 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole

2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole (PubChem CID 19224198) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
PubChem CID19224198
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
SMILESCCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCCC(C)C
InChIInChI=1S/C20H24N2O2/c1-4-23-19-13-15(9-10-18(19)24-12-11-14(2)3)20-21-16-7-5-6-8-17(16)22-20/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyZRRAGTMXQDXUKO-UHFFFAOYSA-N
XLogP5.05
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]methanimine
CID 23966713
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
2-(4-ethoxy-3-prop-2-enylphenyl)-1H-benzimidazole
CID 168554555
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 103597133
5-(1H-benzimidazol-2-yl)-2-(2-methylpropoxy)aniline
CID 82144256
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
[4-(1H-benzimidazol-2-yl)-2-ethoxyphenyl] 3-methylbenzoate
CID 168554799

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole (CID 19224198) is 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole is CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCCC(C)C.
What is the InChIKey of 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole?
The InChIKey is ZRRAGTMXQDXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-23-19-13-15(9-10-18(19)24-12-11-14(2)3)20-21-16-7-5-6-8-17(16)22-20/h5-10,13-14H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole?
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole has a molecular weight of 324.42 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 19224198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).