1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole

C20H20N2 — CID 2256105

IUPAC1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole
SMILESCN1c2ccccc2N(C)C1(C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2/c1-20(17-12-8-10-15-9-4-5-11-16(15)17)21(2)18-13-6-7-14-19(18)22(20)3/h4-14H,1-3H3
InChIKeyVUUNKYKVPSXXKS-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.60
Rot. Bonds1

About 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole

1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole (PubChem CID 2256105) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole.

Molecular Properties

Compound Name1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole
PubChem CID2256105
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole
SMILESCN1c2ccccc2N(C)C1(C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2/c1-20(17-12-8-10-15-9-4-5-11-16(15)17)21(2)18-13-6-7-14-19(18)22(20)3/h4-14H,1-3H3
InChIKeyVUUNKYKVPSXXKS-UHFFFAOYSA-N
XLogP4.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole?
The IUPAC name of 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole (CID 2256105) is 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole.
What is the SMILES notation for 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole?
The canonical SMILES for 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole is CN1c2ccccc2N(C)C1(C)c1cccc2ccccc12.
What is the InChIKey of 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole?
The InChIKey is VUUNKYKVPSXXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-20(17-12-8-10-15-9-4-5-11-16(15)17)21(2)18-13-6-7-14-19(18)22(20)3/h4-14H,1-3H3.
What are the key properties of 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole?
1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole has a molecular weight of 288.39 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2-naphthalen-1-ylbenzimidazole is sourced from PubChem (CID 2256105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).