3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide

C25H26N4O — CID 46328410

IUPAC3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1
InChIInChI=1S/C25H26N4O/c1-28(2)21-11-7-9-19(17-21)25(30)26-20-10-6-8-18(16-20)14-15-24-27-22-12-4-5-13-23(22)29(24)3/h4-13,16-17H,14-15H2,1-3H3,(H,26,30)
InChIKeyJEWQVZJZQIEYPF-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.68
Rot. Bonds6

About 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide

3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide (PubChem CID 46328410) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
PubChem CID46328410
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1
InChIInChI=1S/C25H26N4O/c1-28(2)21-11-7-9-19(17-21)25(30)26-20-10-6-8-18(16-20)14-15-24-27-22-12-4-5-13-23(22)29(24)3/h4-13,16-17H,14-15H2,1-3H3,(H,26,30)
InChIKeyJEWQVZJZQIEYPF-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
CID 46290663
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide (CID 46328410) is 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide is CN(C)c1cccc(C(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
The InChIKey is JEWQVZJZQIEYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-28(2)21-11-7-9-19(17-21)25(30)26-20-10-6-8-18(16-20)14-15-24-27-22-12-4-5-13-23(22)29(24)3/h4-13,16-17H,14-15H2,1-3H3,(H,26,30).
What are the key properties of 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide?
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 46328410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).