N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide

C27H28N4O — CID 24621595

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C27H28N4O/c32-27(22-11-9-20(10-12-22)18-31-15-5-2-6-16-31)30-26(21-7-3-1-4-8-21)23-13-14-24-25(17-23)29-19-28-24/h1,3-4,7-14,17,19,26H,2,5-6,15-16,18H2,(H,28,29)(H,30,32)
InChIKeyVOSQGJNAAQXWKI-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.07
Rot. Bonds6

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 24621595) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID24621595
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C27H28N4O/c32-27(22-11-9-20(10-12-22)18-31-15-5-2-6-16-31)30-26(21-7-3-1-4-8-21)23-13-14-24-25(17-23)29-19-28-24/h1,3-4,7-14,17,19,26H,2,5-6,15-16,18H2,(H,28,29)(H,30,32)
InChIKeyVOSQGJNAAQXWKI-UHFFFAOYSA-N
XLogP5.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3H-benzimidazol-5-ylmethyl)piperidin-4-yl] N-benzhydrylcarbamate
CID 139674501
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
1-[(R)-3H-benzimidazol-5-yl(phenyl)methyl]-3-[3-(2-oxoazepan-1-yl)propyl]urea
CID 51936759
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78894239
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 17459495
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 24621577

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide (CID 24621595) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide is O=C(NC(c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is VOSQGJNAAQXWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c32-27(22-11-9-20(10-12-22)18-31-15-5-2-6-16-31)30-26(21-7-3-1-4-8-21)23-13-14-24-25(17-23)29-19-28-24/h1,3-4,7-14,17,19,26H,2,5-6,15-16,18H2,(H,28,29)(H,30,32).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 424.55 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 24621595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).