6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole

C20H26N4O — CID 143070937

IUPAC6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole
SMILESCCN1CCN(c2ccc3nc(C4=CCC(OC)C=C4)[nH]c3c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)16-6-9-18-19(14-16)22-20(21-18)15-4-7-17(25-2)8-5-15/h4-7,9,14,17H,3,8,10-13H2,1-2H3,(H,21,22)
InChIKeyUKWIKSZNCAYFAY-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.06
Rot. Bonds4

About 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole

6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole (PubChem CID 143070937) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole
PubChem CID143070937
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole
SMILESCCN1CCN(c2ccc3nc(C4=CCC(OC)C=C4)[nH]c3c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)16-6-9-18-19(14-16)22-20(21-18)15-4-7-17(25-2)8-5-15/h4-7,9,14,17H,3,8,10-13H2,1-2H3,(H,21,22)
InChIKeyUKWIKSZNCAYFAY-UHFFFAOYSA-N
XLogP3.06
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1-methyl-2H-quinolin-4-amine
CID 141079623
6-(4-butylpiperazin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 163409283
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxy-3-methoxybenzoic acid
CID 162531087
methyl N-[6-[4-(4-ethylpiperazin-1-yl)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 163265329
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161
azane;2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 69083444
2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;tetrahydrate;trihydrochloride
CID 146675206
4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504253
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 135820292

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole (CID 143070937) is 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole is CCN1CCN(c2ccc3nc(C4=CCC(OC)C=C4)[nH]c3c2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole?
The InChIKey is UKWIKSZNCAYFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)16-6-9-18-19(14-16)22-20(21-18)15-4-7-17(25-2)8-5-15/h4-7,9,14,17H,3,8,10-13H2,1-2H3,(H,21,22).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole?
6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole has a molecular weight of 338.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole is sourced from PubChem (CID 143070937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).