3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

C23H25N5O2 — CID 55475943

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NCc2ccccc2Cn2ccnc2)c2ccccc21
InChIInChI=1S/C23H25N5O2/c1-2-27-20-9-5-6-10-21(20)28(23(27)30)13-11-22(29)25-15-18-7-3-4-8-19(18)16-26-14-12-24-17-26/h3-10,12,14,17H,2,11,13,15-16H2,1H3,(H,25,29)
InChIKeyLRIBWWQXOXDASL-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.77
Rot. Bonds8

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 55475943) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID55475943
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)NCc2ccccc2Cn2ccnc2)c2ccccc21
InChIInChI=1S/C23H25N5O2/c1-2-27-20-9-5-6-10-21(20)28(23(27)30)13-11-22(29)25-15-18-7-3-4-8-19(18)16-26-14-12-24-17-26/h3-10,12,14,17H,2,11,13,15-16H2,1H3,(H,25,29)
InChIKeyLRIBWWQXOXDASL-UHFFFAOYSA-N
XLogP2.77
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide (CID 55475943) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide is CCn1c(=O)n(CCC(=O)NCc2ccccc2Cn2ccnc2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is LRIBWWQXOXDASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-2-27-20-9-5-6-10-21(20)28(23(27)30)13-11-22(29)25-15-18-7-3-4-8-19(18)16-26-14-12-24-17-26/h3-10,12,14,17H,2,11,13,15-16H2,1H3,(H,25,29).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 403.49 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55475943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).