N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C17H19N3O3 — CID 18142231

IUPACN-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCN(Cc1ccco1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H19N3O3/c1-18(12-13-6-5-11-23-13)16(21)9-10-20-15-8-4-3-7-14(15)19(2)17(20)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyYZPFANMZJOKUAX-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.98
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18142231) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18142231
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCN(Cc1ccco1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H19N3O3/c1-18(12-13-6-5-11-23-13)16(21)9-10-20-15-8-4-3-7-14(15)19(2)17(20)22/h3-8,11H,9-10,12H2,1-2H3
InChIKeyYZPFANMZJOKUAX-UHFFFAOYSA-N
XLogP1.98
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
CID 112814163
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819613
N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
CID 42896336
N-benzyl-N-ethyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18134876
N-[1-(furan-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18142638
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26021542
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18136969
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 664799
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 18109840
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 18142231) is N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CN(Cc1ccco1)C(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is YZPFANMZJOKUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-18(12-13-6-5-11-23-13)16(21)9-10-20-15-8-4-3-7-14(15)19(2)17(20)22/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18142231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).