2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline

C21H17N5 — CID 56879841

IUPAC2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
SMILESc1ccc2nc(-c3nccn3CCc3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C21H17N5/c1-2-6-16-15(5-1)9-10-19(23-16)21-22-12-14-26(21)13-11-20-24-17-7-3-4-8-18(17)25-20/h1-10,12,14H,11,13H2,(H,24,25)
InChIKeyLFDSPPBQPLPQRP-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.22
Rot. Bonds4

About 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline

2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline (PubChem CID 56879841) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline.

Molecular Properties

Compound Name2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
PubChem CID56879841
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
SMILESc1ccc2nc(-c3nccn3CCc3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C21H17N5/c1-2-6-16-15(5-1)9-10-19(23-16)21-22-12-14-26(21)13-11-20-24-17-7-3-4-8-18(17)25-20/h1-10,12,14H,11,13H2,(H,24,25)
InChIKeyLFDSPPBQPLPQRP-UHFFFAOYSA-N
XLogP4.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]quinoline
CID 95209596
2-(1H-benzimidazol-2-yl)quinoline
CID 646533
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
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3-(1-butylimidazol-2-yl)-1H-quinoxalin-2-one
CID 134842555
CID 87640795
CID 87640795
copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride
CID 71816376
2-(1-methylimidazol-2-yl)-1H-benzimidazole
CID 20807349
2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958
6-methoxy-2-[2-[5-(1-methylimidazol-2-yl)-4-phenylimidazol-1-yl]ethyl]-1H-benzimidazole
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4-(1H-benzimidazol-2-yl)butanenitrile
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N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethylimidazole-2-carboxamide
CID 110467360

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline?
The IUPAC name of 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline (CID 56879841) is 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline.
What is the SMILES notation for 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline?
The canonical SMILES for 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline is c1ccc2nc(-c3nccn3CCc3nc4ccccc4[nH]3)ccc2c1.
What is the InChIKey of 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline?
The InChIKey is LFDSPPBQPLPQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-2-6-16-15(5-1)9-10-19(23-16)21-22-12-14-26(21)13-11-20-24-17-7-3-4-8-18(17)25-20/h1-10,12,14H,11,13H2,(H,24,25).
What are the key properties of 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline?
2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline has a molecular weight of 339.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline is sourced from PubChem (CID 56879841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).