N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide

C19H21N3O — CID 110773039

IUPACN-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCC(C)n1cnc2cc(CC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O/c1-14(2)22-13-21-17-10-16(8-9-18(17)22)11-19(23)20-12-15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,20,23)
InChIKeyLFQBUVSIFDHDLI-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide

N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide (PubChem CID 110773039) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
PubChem CID110773039
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCC(C)n1cnc2cc(CC(=O)NCc3ccccc3)ccc21
InChIInChI=1S/C19H21N3O/c1-14(2)22-13-21-17-10-16(8-9-18(17)22)11-19(23)20-12-15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,20,23)
InChIKeyLFQBUVSIFDHDLI-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110785908
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
2-(3-methoxyphenyl)-N-[(1-methylbenzimidazol-5-yl)methyl]acetamide
CID 110785836
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide (CID 110773039) is N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide is CC(C)n1cnc2cc(CC(=O)NCc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
The InChIKey is LFQBUVSIFDHDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)22-13-21-17-10-16(8-9-18(17)22)11-19(23)20-12-15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110773039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).