N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide

C17H18N4O — CID 53368058

IUPACN-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)c3ccncc3)cc2[nH]1
InChIInChI=1S/C17H18N4O/c1-17(2,3)16-20-13-5-4-12(10-14(13)21-16)19-15(22)11-6-8-18-9-7-11/h4-10H,1-3H3,(H,19,22)(H,20,21)
InChIKeyHBKRXZWWUQRYPY-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.51
Rot. Bonds2

About N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide

N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide (PubChem CID 53368058) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
PubChem CID53368058
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)c3ccncc3)cc2[nH]1
InChIInChI=1S/C17H18N4O/c1-17(2,3)16-20-13-5-4-12(10-14(13)21-16)19-15(22)11-6-8-18-9-7-11/h4-10H,1-3H3,(H,19,22)(H,20,21)
InChIKeyHBKRXZWWUQRYPY-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-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

4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
CID 62639166
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(cyclopropylamino)acetamide
CID 61274236
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide (CID 53368058) is N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide is CC(C)(C)c1nc2ccc(NC(=O)c3ccncc3)cc2[nH]1.
What is the InChIKey of N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
The InChIKey is HBKRXZWWUQRYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-17(2,3)16-20-13-5-4-12(10-14(13)21-16)19-15(22)11-6-8-18-9-7-11/h4-10H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide?
N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 53368058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).