5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine

C31H29N7 — CID 11260535

IUPAC5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4n[nH]nc4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H29N7/c1-21-32-27-9-5-6-10-29(27)38(21)25-15-17-37(18-16-25)20-22-11-13-24(14-12-22)30-26(23-7-3-2-4-8-23)19-28-31(33-30)35-36-34-28/h2-14,19,25H,15-18,20H2,1H3,(H,33,34,35,36)
InChIKeyULXDTDVFKRMXTL-UHFFFAOYSA-N
MW499.62 g/mol
LogP6.18
Rot. Bonds5

About 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine

5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine (PubChem CID 11260535) has the molecular formula C31H29N7 and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
PubChem CID11260535
Molecular FormulaC31H29N7
Molecular Weight499.62 g/mol
Exact Mass499.25
IUPAC Name5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4n[nH]nc4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H29N7/c1-21-32-27-9-5-6-10-29(27)38(21)25-15-17-37(18-16-25)20-22-11-13-24(14-12-22)30-26(23-7-3-2-4-8-23)19-28-31(33-30)35-36-34-28/h2-14,19,25H,15-18,20H2,1H3,(H,33,34,35,36)
InChIKeyULXDTDVFKRMXTL-UHFFFAOYSA-N
XLogP6.18
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine with MolForge

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
1-(1-benzylpiperidin-4-yl)-2-chlorobenzimidazole
CID 18324773
N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide
CID 21103178
2-(methylamino)-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
CID 11237628
ethyl 4-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-1-phenylpyrrolo[1,2-a]quinoxaline-2-carboxylate
CID 127031186
3-[1-[[4-(3-oxo-6-phenyl-2H-1,2,4-triazin-5-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58853495
3-[1-[[4-[7-(1-methyltetrazol-5-yl)-3-phenylquinoxalin-2-yl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21103118
1-[3-amino-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-2-pyridinyl]-3-methylurea
CID 142961669
1-[1-[3-(4-iodophenyl)-3-phenylpropyl]piperidin-4-yl]-2-methylbenzimidazole
CID 58282556
2-methyl-6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidine
CID 168810806
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
CID 11422142
2-amino-6-[4-[[4-(5-ethyl-4-methyl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile;prop-1-ene
CID 142961682

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
The IUPAC name of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine (CID 11260535) is 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine is Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4n[nH]nc4cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
The InChIKey is ULXDTDVFKRMXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7/c1-21-32-27-9-5-6-10-29(27)38(21)25-15-17-37(18-16-25)20-22-11-13-24(14-12-22)30-26(23-7-3-2-4-8-23)19-28-31(33-30)35-36-34-28/h2-14,19,25H,15-18,20H2,1H3,(H,33,34,35,36).
What are the key properties of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine has a molecular weight of 499.62 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 11260535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).