N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide

C17H18N4O — CID 110793268

IUPACN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccccn3)ccc2n1C
InChIInChI=1S/C17H18N4O/c1-11(2)16-20-14-10-12(7-8-15(14)21(16)3)19-17(22)13-6-4-5-9-18-13/h4-11H,1-3H3,(H,19,22)
InChIKeyHYDDBSLIIYWKDO-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.34
Rot. Bonds3

About N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide

N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide (PubChem CID 110793268) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
PubChem CID110793268
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccccn3)ccc2n1C
InChIInChI=1S/C17H18N4O/c1-11(2)16-20-14-10-12(7-8-15(14)21(16)3)19-17(22)13-6-4-5-9-18-13/h4-11H,1-3H3,(H,19,22)
InChIKeyHYDDBSLIIYWKDO-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
CID 110774752
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110773320
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
4-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 46971817
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanamide
CID 92589504
2-(1-methyl-2,4-dioxoquinazolin-3-yl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 46969733
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779354
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 91639594
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 71701696
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-4-(tetrazol-1-yl)butanamide
CID 125431718

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide (CID 110793268) is N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide is CC(C)c1nc2cc(NC(=O)c3ccccn3)ccc2n1C.
What is the InChIKey of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide?
The InChIKey is HYDDBSLIIYWKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11(2)16-20-14-10-12(7-8-15(14)21(16)3)19-17(22)13-6-4-5-9-18-13/h4-11H,1-3H3,(H,19,22).
What are the key properties of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide?
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110793268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).