2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide

C19H22N4O — CID 110773320

IUPAC2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)c1nc2cc(CC(=O)NCc3ccccn3)ccc2n1C
InChIInChI=1S/C19H22N4O/c1-13(2)19-22-16-10-14(7-8-17(16)23(19)3)11-18(24)21-12-15-6-4-5-9-20-15/h4-10,13H,11-12H2,1-3H3,(H,21,24)
InChIKeyQOCQLSPVUUZYJM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.95
Rot. Bonds5

About 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 110773320) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID110773320
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)c1nc2cc(CC(=O)NCc3ccccn3)ccc2n1C
InChIInChI=1S/C19H22N4O/c1-13(2)19-22-16-10-14(7-8-17(16)23(19)3)11-18(24)21-12-15-6-4-5-9-20-15/h4-10,13H,11-12H2,1-3H3,(H,21,24)
InChIKeyQOCQLSPVUUZYJM-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773328
2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 171476841
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110773124
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 110773320) is 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide is CC(C)c1nc2cc(CC(=O)NCc3ccccn3)ccc2n1C.
What is the InChIKey of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QOCQLSPVUUZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)19-22-16-10-14(7-8-17(16)23(19)3)11-18(24)21-12-15-6-4-5-9-20-15/h4-10,13H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 110773320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).