N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide

C21H25N3O3 — CID 53131237

IUPACN-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
SMILESCCCc1nc2ccc(CCC(=O)Nc3ccc(OC)c(OC)c3)cc2[nH]1
InChIInChI=1S/C21H25N3O3/c1-4-5-20-23-16-9-6-14(12-17(16)24-20)7-11-21(25)22-15-8-10-18(26-2)19(13-15)27-3/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyNRZULIGSPWHXGQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.10
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide

N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 53131237) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
PubChem CID53131237
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
SMILESCCCc1nc2ccc(CCC(=O)Nc3ccc(OC)c(OC)c3)cc2[nH]1
InChIInChI=1S/C21H25N3O3/c1-4-5-20-23-16-9-6-14(12-17(16)24-20)7-11-21(25)22-15-8-10-18(26-2)19(13-15)27-3/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyNRZULIGSPWHXGQ-UHFFFAOYSA-N
XLogP4.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772778
N-(3,5-difluorophenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131277
N-(3-chloro-4-methoxyphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 53131328
N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131255
N-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)propanamide
CID 41453982
3-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825850
3-(1H-benzimidazol-2-yl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 32519791
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(3,4-dimethoxyphenyl)-2-[2-[4-(2-methylpropanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789464
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide (CID 53131237) is N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide is CCCc1nc2ccc(CCC(=O)Nc3ccc(OC)c(OC)c3)cc2[nH]1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is NRZULIGSPWHXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-5-20-23-16-9-6-14(12-17(16)24-20)7-11-21(25)22-15-8-10-18(26-2)19(13-15)27-3/h6,8-10,12-13H,4-5,7,11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide?
N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 53131237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).