N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide

C21H25N3O4 — CID 18338791

IUPACN-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide
SMILESCCCC(C(=O)NCc1ccccc1)n1c(=O)[nH]c2cc(OC)c(OC)cc21
InChIInChI=1S/C21H25N3O4/c1-4-8-16(20(25)22-13-14-9-6-5-7-10-14)24-17-12-19(28-3)18(27-2)11-15(17)23-21(24)26/h5-7,9-12,16H,4,8,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyADIANCOIIIADTM-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.00
Rot. Bonds8

About N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide

N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide (PubChem CID 18338791) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide.

Molecular Properties

Compound NameN-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide
PubChem CID18338791
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide
SMILESCCCC(C(=O)NCc1ccccc1)n1c(=O)[nH]c2cc(OC)c(OC)cc21
InChIInChI=1S/C21H25N3O4/c1-4-8-16(20(25)22-13-14-9-6-5-7-10-14)24-17-12-19(28-3)18(27-2)11-15(17)23-21(24)26/h5-7,9-12,16H,4,8,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyADIANCOIIIADTM-UHFFFAOYSA-N
XLogP3.00
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)pentanoate
CID 68726339
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
N-benzyl-2-hydroxypentanamide
CID 141058656
2-(2-benzylbenzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)pentanamide
CID 42810587
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
N-benzyl-2-hydroxypentanamide;ethane
CID 168939873
2-amino-N-benzylpentanamide
CID 11020044
1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
CID 3942749
N-benzyl-2-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
CID 70179521
N-benzyl-2-[6-methoxy-2-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-4-yl]acetamide
CID 70179082
3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
CID 1437384
N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 46301475

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide?
The IUPAC name of N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide (CID 18338791) is N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide.
What is the SMILES notation for N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide?
The canonical SMILES for N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide is CCCC(C(=O)NCc1ccccc1)n1c(=O)[nH]c2cc(OC)c(OC)cc21.
What is the InChIKey of N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide?
The InChIKey is ADIANCOIIIADTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-8-16(20(25)22-13-14-9-6-5-7-10-14)24-17-12-19(28-3)18(27-2)11-15(17)23-21(24)26/h5-7,9-12,16H,4,8,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide?
N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide has a molecular weight of 383.45 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,6-dimethoxy-2-oxo-3H-benzimidazol-1-yl)pentanamide is sourced from PubChem (CID 18338791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).