3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide

C26H25N5O — CID 46328435

IUPAC3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCn1c(CCc2cccc(NC(=O)CCn3cnc4ccccc43)c2)nc2ccccc21
InChIInChI=1S/C26H25N5O/c1-30-23-11-4-3-10-22(23)29-25(30)14-13-19-7-6-8-20(17-19)28-26(32)15-16-31-18-27-21-9-2-5-12-24(21)31/h2-12,17-18H,13-16H2,1H3,(H,28,32)
InChIKeyKRTGKRQLSQKVAU-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.74
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide

3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide (PubChem CID 46328435) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
PubChem CID46328435
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
SMILESCn1c(CCc2cccc(NC(=O)CCn3cnc4ccccc43)c2)nc2ccccc21
InChIInChI=1S/C26H25N5O/c1-30-23-11-4-3-10-22(23)29-25(30)14-13-19-7-6-8-20(17-19)28-26(32)15-16-31-18-27-21-9-2-5-12-24(21)31/h2-12,17-18H,13-16H2,1H3,(H,28,32)
InChIKeyKRTGKRQLSQKVAU-UHFFFAOYSA-N
XLogP4.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide
CID 50957001
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
3-(benzimidazol-1-yl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 60582181
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide (CID 46328435) is 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide is Cn1c(CCc2cccc(NC(=O)CCn3cnc4ccccc43)c2)nc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
The InChIKey is KRTGKRQLSQKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-30-23-11-4-3-10-22(23)29-25(30)14-13-19-7-6-8-20(17-19)28-26(32)15-16-31-18-27-21-9-2-5-12-24(21)31/h2-12,17-18H,13-16H2,1H3,(H,28,32).
What are the key properties of 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide?
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide has a molecular weight of 423.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide is sourced from PubChem (CID 46328435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).