(2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

C22H20N2O — CID 134134298

IUPAC(2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCC(C)(C)c1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-22(2,3)21-23-18-13-6-7-14-19(18)24(21)20(25)17-12-8-10-15-9-4-5-11-16(15)17/h4-14H,1-3H3
InChIKeyYJJXLJXTINUIHK-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.18
Rot. Bonds1

About (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

(2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (PubChem CID 134134298) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
PubChem CID134134298
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCC(C)(C)c1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-22(2,3)21-23-18-13-6-7-14-19(18)24(21)20(25)17-12-8-10-15-9-4-5-11-16(15)17/h4-14H,1-3H3
InChIKeyYJJXLJXTINUIHK-UHFFFAOYSA-N
XLogP5.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (CID 134134298) is (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is CC(C)(C)c1nc2ccccc2n1C(=O)c1cccc2ccccc12.
What is the InChIKey of (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is YJJXLJXTINUIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-22(2,3)21-23-18-13-6-7-14-19(18)24(21)20(25)17-12-8-10-15-9-4-5-11-16(15)17/h4-14H,1-3H3.
What are the key properties of (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
(2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 134134298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).