6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole

C25H25N3 — CID 158199390

IUPAC6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C25H25N3/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2
InChIKeyDYLIFZQNZZRJMX-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.68
Rot. Bonds4

About 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole

6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole (PubChem CID 158199390) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole.

Molecular Properties

Compound Name6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
PubChem CID158199390
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole
SMILESc1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1
InChIInChI=1S/C25H25N3/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2
InChIKeyDYLIFZQNZZRJMX-UHFFFAOYSA-N
XLogP5.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-2-[4-(benzimidazol-1-yl)phenyl]-1,3-oxazole
CID 25204301
2-[4-(benzimidazol-1-yl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204228
2-[[1-[[4-(benzimidazol-1-yl)phenyl]methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043421
N,N-dimethyl-1-[[4-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]methyl]piperidin-4-amine
CID 162735853
[4-[3-(4-methoxyphenyl)benzimidazol-5-yl]phenyl]methanol
CID 139571338
1-benzylazepane
CID 10954328
1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole
CID 167905680
4-(3-chlorophenyl)-2-[6-(piperidin-1-ylmethyl)benzimidazol-1-yl]-1,3-thiazole-5-carboxamide
CID 46834903
[4-(benzimidazol-1-yl)phenyl]-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 24620150
2-[3-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526464
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]piperidine
CID 25147728

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
The IUPAC name of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole (CID 158199390) is 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole.
What is the SMILES notation for 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
The canonical SMILES for 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole is c1ccc(-c2ccc3ncn(-c4ccc(CN5CCCCC5)cc4)c3c2)cc1.
What is the InChIKey of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
The InChIKey is DYLIFZQNZZRJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-3-7-21(8-4-1)22-11-14-24-25(17-22)28(19-26-24)23-12-9-20(10-13-23)18-27-15-5-2-6-16-27/h1,3-4,7-14,17,19H,2,5-6,15-16,18H2.
What are the key properties of 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole?
6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole has a molecular weight of 367.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1-[4-(piperidin-1-ylmethyl)phenyl]benzimidazole is sourced from PubChem (CID 158199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).