N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine

C25H25N5O — CID 56925450

IUPACN-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc2nc(-c3ccc(-c4nc5ccccn5c4NC(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
InChIKeyDEFXWAXUKYOGRK-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.76
Rot. Bonds4

About N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine

N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 56925450) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID56925450
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccc2nc(-c3ccc(-c4nc5ccccn5c4NC(C)(C)C)cc3)[nH]c2c1
InChIInChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27)
InChIKeyDEFXWAXUKYOGRK-UHFFFAOYSA-N
XLogP5.76
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine with MolForge

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Related Compounds

N-tert-butyl-2-[3-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 56925544
2-(4-methoxyphenyl)-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 858000
N,2-bis(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 58564445
N-tert-butyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 809106
4-[3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 858017
2-anthracen-9-yl-N-tert-butylimidazo[1,2-a]pyridin-3-amine
CID 71461760
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
2-(4-fluorophenyl)-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 858021
2-chloro-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 42693936
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine (CID 56925450) is N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine is COc1ccc2nc(-c3ccc(-c4nc5ccccn5c4NC(C)(C)C)cc3)[nH]c2c1.
What is the InChIKey of N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is DEFXWAXUKYOGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-25(2,3)29-24-22(28-21-7-5-6-14-30(21)24)16-8-10-17(11-9-16)23-26-19-13-12-18(31-4)15-20(19)27-23/h5-15,29H,1-4H3,(H,26,27).
What are the key properties of N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine?
N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 411.51 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 56925450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).