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

C22H20N2O — CID 134139421

IUPAC(2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCCCCc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-2-3-15-21-23-19-13-6-7-14-20(19)24(21)22(25)18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3
InChIKeyDLWFPAIRTIZRAQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.22
Rot. Bonds4

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

(2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (PubChem CID 134139421) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
PubChem CID134139421
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCCCCc1nc2ccccc2n1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H20N2O/c1-2-3-15-21-23-19-13-6-7-14-20(19)24(21)22(25)18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3
InChIKeyDLWFPAIRTIZRAQ-UHFFFAOYSA-N
XLogP5.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (CID 134139421) is (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is CCCCc1nc2ccccc2n1C(=O)c1cccc2ccccc12.
What is the InChIKey of (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is DLWFPAIRTIZRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-2-3-15-21-23-19-13-6-7-14-20(19)24(21)22(25)18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,2-3,15H2,1H3.
What are the key properties of (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
(2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 328.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 134139421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).