2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole

C20H17ClN2O — CID 139950750

IUPAC2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole
SMILESClc1ccc(OCCCc2nc3ccccc3[nH]2)c2ccccc12
InChIInChI=1S/C20H17ClN2O/c21-16-11-12-19(15-7-2-1-6-14(15)16)24-13-5-10-20-22-17-8-3-4-9-18(17)23-20/h1-4,6-9,11-12H,5,10,13H2,(H,22,23)
InChIKeyGTQZKFPTEBLHEE-UHFFFAOYSA-N
MW336.82 g/mol
LogP5.38
Rot. Bonds5

About 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole

2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole (PubChem CID 139950750) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole
PubChem CID139950750
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole
SMILESClc1ccc(OCCCc2nc3ccccc3[nH]2)c2ccccc12
InChIInChI=1S/C20H17ClN2O/c21-16-11-12-19(15-7-2-1-6-14(15)16)24-13-5-10-20-22-17-8-3-4-9-18(17)23-20/h1-4,6-9,11-12H,5,10,13H2,(H,22,23)
InChIKeyGTQZKFPTEBLHEE-UHFFFAOYSA-N
XLogP5.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chloronaphthalen-1-yl)oxymethyl]-6-methyl-1H-benzimidazole
CID 139950745
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
2-docosyl-1H-benzimidazole
CID 141189761
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
CID 87640795
CID 87640795
3-(4-chloronaphthalen-1-yl)oxypropanal
CID 63040435
3-(1H-benzimidazol-2-yl)-N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-1-amine
CID 66529012
2-[3-(1H-benzimidazol-2-yl)propoxy]-6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 56949460

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole?
The IUPAC name of 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole (CID 139950750) is 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole is Clc1ccc(OCCCc2nc3ccccc3[nH]2)c2ccccc12.
What is the InChIKey of 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole?
The InChIKey is GTQZKFPTEBLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-16-11-12-19(15-7-2-1-6-14(15)16)24-13-5-10-20-22-17-8-3-4-9-18(17)23-20/h1-4,6-9,11-12H,5,10,13H2,(H,22,23).
What are the key properties of 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole?
2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole has a molecular weight of 336.82 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chloronaphthalen-1-yl)oxypropyl]-1H-benzimidazole is sourced from PubChem (CID 139950750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).