N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide

C17H17N3O2 — CID 777770

IUPACN-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(OC)cc1
InChIInChI=1S/C17H17N3O2/c1-3-17(21)19-12-4-9-16-15(10-12)18-11-20(16)13-5-7-14(22-2)8-6-13/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyCEXOXZISWHXVSS-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide

N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide (PubChem CID 777770) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide
PubChem CID777770
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(OC)cc1
InChIInChI=1S/C17H17N3O2/c1-3-17(21)19-12-4-9-16-15(10-12)18-11-20(16)13-5-7-14(22-2)8-6-13/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyCEXOXZISWHXVSS-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
N-[3-(2-ethoxy-6-methoxybenzimidazol-1-yl)propyl]acetamide
CID 139451761
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]butanamide
CID 139451763
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451767
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
CID 139451769
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
CID 139451776
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451795

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide (CID 777770) is N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)ncn2-c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide?
The InChIKey is CEXOXZISWHXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-17(21)19-12-4-9-16-15(10-12)18-11-20(16)13-5-7-14(22-2)8-6-13/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide?
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)benzimidazol-5-yl]propanamide is sourced from PubChem (CID 777770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).