N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide

C24H31N5O — CID 68657783

IUPACN-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(C(=O)Nc1cc(-c2nc3c(C)cc(C)cc3[nH]2)ccn1)C1CCN(C)CC1
InChIInChI=1S/C24H31N5O/c1-5-19(17-7-10-29(4)11-8-17)24(30)27-21-14-18(6-9-25-21)23-26-20-13-15(2)12-16(3)22(20)28-23/h6,9,12-14,17,19H,5,7-8,10-11H2,1-4H3,(H,26,28)(H,25,27,30)
InChIKeyPGDFYDIRJCHUHZ-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.55
Rot. Bonds5

About N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide

N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide (PubChem CID 68657783) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide
PubChem CID68657783
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(C(=O)Nc1cc(-c2nc3c(C)cc(C)cc3[nH]2)ccn1)C1CCN(C)CC1
InChIInChI=1S/C24H31N5O/c1-5-19(17-7-10-29(4)11-8-17)24(30)27-21-14-18(6-9-25-21)23-26-20-13-15(2)12-16(3)22(20)28-23/h6,9,12-14,17,19H,5,7-8,10-11H2,1-4H3,(H,26,28)(H,25,27,30)
InChIKeyPGDFYDIRJCHUHZ-UHFFFAOYSA-N
XLogP4.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide 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-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82946945
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
2-amino-N-(4-methyl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120796743
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
2-[4-chloro-6-[3-(1-methylpiperidin-4-yl)propoxy]-3-pyridinyl]-4,6-dimethyl-1H-benzimidazole
CID 11407300
2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-4,6-dimethyl-1H-benzimidazole
CID 11258459
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
carbon dioxide;5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine;methane;methanol;prop-2-enoic acid
CID 157292636
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44530774
2-(dimethylamino)-N-(4-methyl-2-pyridinyl)butanamide
CID 71847661
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 82946962

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide (CID 68657783) is N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide is CCC(C(=O)Nc1cc(-c2nc3c(C)cc(C)cc3[nH]2)ccn1)C1CCN(C)CC1.
What is the InChIKey of N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is PGDFYDIRJCHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-5-19(17-7-10-29(4)11-8-17)24(30)27-21-14-18(6-9-25-21)23-26-20-13-15(2)12-16(3)22(20)28-23/h6,9,12-14,17,19H,5,7-8,10-11H2,1-4H3,(H,26,28)(H,25,27,30).
What are the key properties of N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide?
N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 405.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 68657783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).