naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone

C21H18N2O — CID 134156537

IUPACnaphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone
SMILESCCCc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C21H18N2O/c1-2-8-20-22-18-13-5-6-14-19(18)23(20)21(24)17-12-7-10-15-9-3-4-11-16(15)17/h3-7,9-14H,2,8H2,1H3
InChIKeyBEJODQWULIPCQD-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.83
Rot. Bonds3

About naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone

naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone (PubChem CID 134156537) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone
PubChem CID134156537
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Namenaphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone
SMILESCCCc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C21H18N2O/c1-2-8-20-22-18-13-5-6-14-19(18)23(20)21(24)17-12-7-10-15-9-3-4-11-16(15)17/h3-7,9-14H,2,8H2,1H3
InChIKeyBEJODQWULIPCQD-UHFFFAOYSA-N
XLogP4.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone?
The IUPAC name of naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone (CID 134156537) is naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone is CCCc1nc2ccccc2n1C(=O)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone?
The InChIKey is BEJODQWULIPCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-2-8-20-22-18-13-5-6-14-19(18)23(20)21(24)17-12-7-10-15-9-3-4-11-16(15)17/h3-7,9-14H,2,8H2,1H3.
What are the key properties of naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone?
naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2-propylbenzimidazol-1-yl)methanone is sourced from PubChem (CID 134156537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).