1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole

C20H22N4 — CID 171320881

IUPAC1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
SMILESCn1c(CCCCc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C20H22N4/c1-23-17-11-5-3-9-15(17)21-19(23)13-7-8-14-20-22-16-10-4-6-12-18(16)24(20)2/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKeyMHEUOLDAMZSISF-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.03
Rot. Bonds5

About 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole (PubChem CID 171320881) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
PubChem CID171320881
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
SMILESCn1c(CCCCc2nc3ccccc3n2C)nc2ccccc21
InChIInChI=1S/C20H22N4/c1-23-17-11-5-3-9-15(17)21-19(23)13-7-8-14-20-22-16-10-4-6-12-18(16)24(20)2/h3-6,9-12H,7-8,13-14H2,1-2H3
InChIKeyMHEUOLDAMZSISF-UHFFFAOYSA-N
XLogP4.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
2-(4-bromo-4-phenylbutyl)-1-methylbenzimidazole
CID 79757624
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole?
The IUPAC name of 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole (CID 171320881) is 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole is Cn1c(CCCCc2nc3ccccc3n2C)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole?
The InChIKey is MHEUOLDAMZSISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-17-11-5-3-9-15(17)21-19(23)13-7-8-14-20-22-16-10-4-6-12-18(16)24(20)2/h3-6,9-12H,7-8,13-14H2,1-2H3.
What are the key properties of 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole?
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole has a molecular weight of 318.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole is sourced from PubChem (CID 171320881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).