N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide

C17H25N3O — CID 110786061

IUPACN-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc2c(c1)nc(C)n2C(C)C
InChIInChI=1S/C17H25N3O/c1-5-6-7-17(21)18-11-14-8-9-16-15(10-14)19-13(4)20(16)12(2)3/h8-10,12H,5-7,11H2,1-4H3,(H,18,21)
InChIKeyNOXOURKFVNFPIO-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.73
Rot. Bonds6

About N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide

N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide (PubChem CID 110786061) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
PubChem CID110786061
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1ccc2c(c1)nc(C)n2C(C)C
InChIInChI=1S/C17H25N3O/c1-5-6-7-17(21)18-11-14-8-9-16-15(10-14)19-13(4)20(16)12(2)3/h8-10,12H,5-7,11H2,1-4H3,(H,18,21)
InChIKeyNOXOURKFVNFPIO-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786066
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-4-carboxamide
CID 110786086
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide
CID 110794782
N-butyl-N-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773275
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-4-phenoxybutanamide
CID 110794764
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethoxypropanamide
CID 119059423

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide?
The IUPAC name of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide (CID 110786061) is N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide.
What is the SMILES notation for N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide?
The canonical SMILES for N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide is CCCCC(=O)NCc1ccc2c(c1)nc(C)n2C(C)C.
What is the InChIKey of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide?
The InChIKey is NOXOURKFVNFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-6-7-17(21)18-11-14-8-9-16-15(10-14)19-13(4)20(16)12(2)3/h8-10,12H,5-7,11H2,1-4H3,(H,18,21).
What are the key properties of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide?
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide has a molecular weight of 287.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide is sourced from PubChem (CID 110786061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).