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

C18H20N4O — CID 110794782

IUPACN-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc2cc(CNC(=O)c3ccccn3)ccc2n1C(C)C
InChIInChI=1S/C18H20N4O/c1-12(2)22-13(3)21-16-10-14(7-8-17(16)22)11-20-18(23)15-6-4-5-9-19-15/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyVSAJHAYTHFDASJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.25
Rot. Bonds4

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

N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 110794782) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID110794782
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCc1nc2cc(CNC(=O)c3ccccn3)ccc2n1C(C)C
InChIInChI=1S/C18H20N4O/c1-12(2)22-13(3)21-16-10-14(7-8-17(16)22)11-20-18(23)15-6-4-5-9-19-15/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyVSAJHAYTHFDASJ-UHFFFAOYSA-N
XLogP3.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-4-carboxamide
CID 110786086
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]pentanamide
CID 110786061
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 90652658
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylbenzamide
CID 110785957
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide (CID 110794782) is N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide is Cc1nc2cc(CNC(=O)c3ccccn3)ccc2n1C(C)C.
What is the InChIKey of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is VSAJHAYTHFDASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)22-13(3)21-16-10-14(7-8-17(16)22)11-20-18(23)15-6-4-5-9-19-15/h4-10,12H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide?
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110794782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).