2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole

C17H18N6 — CID 56748742

IUPAC2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
SMILESCn1c(-c2nccn2CCCn2ccnc2)nc2ccccc21
InChIInChI=1S/C17H18N6/c1-21-15-6-3-2-5-14(15)20-17(21)16-19-8-12-23(16)10-4-9-22-11-7-18-13-22/h2-3,5-8,11-13H,4,9-10H2,1H3
InChIKeyOUIMZYVQMQQMGO-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.72
Rot. Bonds5

About 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole

2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole (PubChem CID 56748742) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
PubChem CID56748742
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole
SMILESCn1c(-c2nccn2CCCn2ccnc2)nc2ccccc21
InChIInChI=1S/C17H18N6/c1-21-15-6-3-2-5-14(15)20-17(21)16-19-8-12-23(16)10-4-9-22-11-7-18-13-22/h2-3,5-8,11-13H,4,9-10H2,1H3
InChIKeyOUIMZYVQMQQMGO-UHFFFAOYSA-N
XLogP2.72
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-imidazol-1-ylbutyl)indole
CID 151284685
5-[1-(2-imidazol-1-ylethyl)imidazol-2-yl]quinoline
CID 56759712
5-[[2-(1-methylbenzimidazol-2-yl)imidazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 56866463
2-(2-fluoro-5-methoxyphenyl)-1-(3-imidazol-1-ylpropyl)imidazole
CID 56760532
4-imidazol-1-ylbutan-1-ol;4-(2-methylimidazol-1-yl)butan-1-ol
CID 159239141
2-[2-[1-[(1R)-1-phenylethyl]benzimidazol-2-yl]imidazol-1-yl]ethanol
CID 95564066
2-(5-ethylfuran-2-yl)-1-(2-imidazol-1-ylethyl)imidazole
CID 56750457
1-propylimidazole;quinoline
CID 174946070
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111352474
3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119110505
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole (CID 56748742) is 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole is Cn1c(-c2nccn2CCCn2ccnc2)nc2ccccc21.
What is the InChIKey of 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole?
The InChIKey is OUIMZYVQMQQMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-21-15-6-3-2-5-14(15)20-17(21)16-19-8-12-23(16)10-4-9-22-11-7-18-13-22/h2-3,5-8,11-13H,4,9-10H2,1H3.
What are the key properties of 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole?
2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole has a molecular weight of 306.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-imidazol-1-ylpropyl)imidazol-2-yl]-1-methylbenzimidazole is sourced from PubChem (CID 56748742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).