(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone

C26H20ClN3O — CID 155598933

IUPAC(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C26H20ClN3O/c1-29(2)20-13-10-18(11-14-20)26(31)30-24-15-12-19(27)16-23(24)28-25(30)22-9-5-7-17-6-3-4-8-21(17)22/h3-16H,1-2H3
InChIKeyMJZGVHIQAVJWEF-UHFFFAOYSA-N
MW425.92 g/mol
LogP6.26
Rot. Bonds3

About (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone

(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone (PubChem CID 155598933) has the molecular formula C26H20ClN3O and a molecular weight of 425.92 g/mol. Its IUPAC name is (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone
PubChem CID155598933
Molecular FormulaC26H20ClN3O
Molecular Weight425.92 g/mol
Exact Mass425.13
IUPAC Name(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C26H20ClN3O/c1-29(2)20-13-10-18(11-14-20)26(31)30-24-15-12-19(27)16-23(24)28-25(30)22-9-5-7-17-6-3-4-8-21(17)22/h3-16H,1-2H3
InChIKeyMJZGVHIQAVJWEF-UHFFFAOYSA-N
XLogP6.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.92
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone (CID 155598933) is (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)n2c(-c3cccc4ccccc34)nc3cc(Cl)ccc32)cc1.
What is the InChIKey of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone?
The InChIKey is MJZGVHIQAVJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O/c1-29(2)20-13-10-18(11-14-20)26(31)30-24-15-12-19(27)16-23(24)28-25(30)22-9-5-7-17-6-3-4-8-21(17)22/h3-16H,1-2H3.
What are the key properties of (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone?
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone has a molecular weight of 425.92 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 155598933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).