6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole

C18H13ClN2O — CID 56925293

IUPAC6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
SMILESCOc1ccc2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc2c1
InChIInChI=1S/C18H13ClN2O/c1-22-15-6-4-11-8-13(3-2-12(11)9-15)18-20-16-7-5-14(19)10-17(16)21-18/h2-10H,1H3,(H,20,21)
InChIKeyKFHOUFFJQCTPNZ-UHFFFAOYSA-N
MW308.77 g/mol
LogP5.05
Rot. Bonds2

About 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole

6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole (PubChem CID 56925293) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
PubChem CID56925293
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
SMILESCOc1ccc2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc2c1
InChIInChI=1S/C18H13ClN2O/c1-22-15-6-4-11-8-13(3-2-12(11)9-15)18-20-16-7-5-14(19)10-17(16)21-18/h2-10H,1H3,(H,20,21)
InChIKeyKFHOUFFJQCTPNZ-UHFFFAOYSA-N
XLogP5.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-chloro-5-(1-naphthyloxy)-2-(trifluoromethyl)-1H-benzimidazole
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3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)pyridin-2-amine
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2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
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(E)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
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(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
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6-chloro-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
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(1H-Benzoimidazol-2-yl)-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amine
CID 25157266
5,6-Dichloro-2-(4-methoxyphenyl)-1h-benzo[d]imidazole
CID 39158436
4-(2-(2-chlorophenyl)-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridine
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4-(2-(2,6-dichlorophenyl)-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole (CID 56925293) is 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole is COc1ccc2cc(-c3nc4ccc(Cl)cc4[nH]3)ccc2c1.
What is the InChIKey of 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole?
The InChIKey is KFHOUFFJQCTPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c1-22-15-6-4-11-8-13(3-2-12(11)9-15)18-20-16-7-5-14(19)10-17(16)21-18/h2-10H,1H3,(H,20,21).
What are the key properties of 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole?
6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole has a molecular weight of 308.77 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 56925293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).