1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole

C23H30N4 — CID 90350029

IUPAC1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
SMILESCc1ccccc1N1CCN(c2nc3ccccc3n2CCC(C)C)CC1
InChIInChI=1S/C23H30N4/c1-18(2)12-13-27-22-11-7-5-9-20(22)24-23(27)26-16-14-25(15-17-26)21-10-6-4-8-19(21)3/h4-11,18H,12-17H2,1-3H3
InChIKeyNTDKHOYWXQLRCY-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.72
Rot. Bonds5

About 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole

1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole (PubChem CID 90350029) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
PubChem CID90350029
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC Name1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
SMILESCc1ccccc1N1CCN(c2nc3ccccc3n2CCC(C)C)CC1
InChIInChI=1S/C23H30N4/c1-18(2)12-13-27-22-11-7-5-9-20(22)24-23(27)26-16-14-25(15-17-26)21-10-6-4-8-19(21)3/h4-11,18H,12-17H2,1-3H3
InChIKeyNTDKHOYWXQLRCY-UHFFFAOYSA-N
XLogP4.72
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 78320650
4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
CID 71170017
1-[1-(3-methylbutyl)benzimidazol-2-yl]butan-1-ol
CID 17027807
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
CID 83417374
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
CID 3219

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
The IUPAC name of 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole (CID 90350029) is 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
The canonical SMILES for 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole is Cc1ccccc1N1CCN(c2nc3ccccc3n2CCC(C)C)CC1.
What is the InChIKey of 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
The InChIKey is NTDKHOYWXQLRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-18(2)12-13-27-22-11-7-5-9-20(22)24-23(27)26-16-14-25(15-17-26)21-10-6-4-8-19(21)3/h4-11,18H,12-17H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole?
1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole has a molecular weight of 362.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole is sourced from PubChem (CID 90350029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).