6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile

C32H29N5 — CID 11225451

IUPAC6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(C#N)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C32H29N5/c1-22-7-12-29-30(17-22)36-32(35-29)27-13-15-37(16-14-27)21-23-8-10-26(11-9-23)31-28(18-24(19-33)20-34-31)25-5-3-2-4-6-25/h2-12,17-18,20,27H,13-16,21H2,1H3,(H,35,36)
InChIKeyKOJPWIUIKNIADX-UHFFFAOYSA-N
MW483.62 g/mol
LogP6.85
Rot. Bonds5

About 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile

6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (PubChem CID 11225451) has the molecular formula C32H29N5 and a molecular weight of 483.62 g/mol. Its IUPAC name is 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
PubChem CID11225451
Molecular FormulaC32H29N5
Molecular Weight483.62 g/mol
Exact Mass483.24
IUPAC Name6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile
SMILESCc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(C#N)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C32H29N5/c1-22-7-12-29-30(17-22)36-32(35-29)27-13-15-37(16-14-27)21-23-8-10-26(11-9-23)31-28(18-24(19-33)20-34-31)25-5-3-2-4-6-25/h2-12,17-18,20,27H,13-16,21H2,1H3,(H,35,36)
InChIKeyKOJPWIUIKNIADX-UHFFFAOYSA-N
XLogP6.85
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile with MolForge

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Related Compounds

Mavorixafor
CID 11256587
Toreforant
CID 23650961
2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
PF-4708671
CID 51371303
SB-525334
CID 9967941
Urmc-099
CID 54764565
2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
2-(5-Ethyl-2-pyridyl)benzimidazole
CID 49746
2-pyridin-2-yl-1H-benzimidazole-6-carboximidamide
CID 10037159
12-methyl-N-[2-(piperidin-1-yl)ethyl]-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine
CID 10109125
6-methyl-2-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-1,3-benzodiazole
CID 11168481

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile (CID 11225451) is 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is Cc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(C#N)cc5-c5ccccc5)cc4)CC3)[nH]c2c1.
What is the InChIKey of 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
The InChIKey is KOJPWIUIKNIADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5/c1-22-7-12-29-30(17-22)36-32(35-29)27-13-15-37(16-14-27)21-23-8-10-26(11-9-23)31-28(18-24(19-33)20-34-31)25-5-3-2-4-6-25/h2-12,17-18,20,27H,13-16,21H2,1H3,(H,35,36).
What are the key properties of 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile?
6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile has a molecular weight of 483.62 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 11225451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).