4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide

C34H33N5O2 — CID 91278506

IUPAC4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C34H33N5O2/c40-33(27-12-10-26(11-13-27)23-39-24-35-31-8-4-5-9-32(31)39)36-29-16-14-28(15-17-29)34(41)37-30-18-20-38(21-19-30)22-25-6-2-1-3-7-25/h1-17,24,30H,18-23H2,(H,36,40)(H,37,41)
InChIKeyVTYHHKNWUSZMBB-UHFFFAOYSA-N
MW543.67 g/mol
LogP5.73
Rot. Bonds8

About 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide

4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide (PubChem CID 91278506) has the molecular formula C34H33N5O2 and a molecular weight of 543.67 g/mol. Its IUPAC name is 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
PubChem CID91278506
Molecular FormulaC34H33N5O2
Molecular Weight543.67 g/mol
Exact Mass543.26
IUPAC Name4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C34H33N5O2/c40-33(27-12-10-26(11-13-27)23-39-24-35-31-8-4-5-9-32(31)39)36-29-16-14-28(15-17-29)34(41)37-30-18-20-38(21-19-30)22-25-6-2-1-3-7-25/h1-17,24,30H,18-23H2,(H,36,40)(H,37,41)
InChIKeyVTYHHKNWUSZMBB-UHFFFAOYSA-N
XLogP5.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(benzimidazol-1-ylmethyl)piperidin-4-yl]benzamide
CID 18142091
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
tert-butyl 3-[[4-(benzimidazol-1-ylmethyl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 69250469
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
1-[3-(benzimidazol-1-yl)propyl]-3-(1-benzylpiperidin-4-yl)-2-methylguanidine
CID 110987006
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide (CID 91278506) is 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide is O=C(Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide?
The InChIKey is VTYHHKNWUSZMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O2/c40-33(27-12-10-26(11-13-27)23-39-24-35-31-8-4-5-9-32(31)39)36-29-16-14-28(15-17-29)34(41)37-30-18-20-38(21-19-30)22-25-6-2-1-3-7-25/h1-17,24,30H,18-23H2,(H,36,40)(H,37,41).
What are the key properties of 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide?
4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide has a molecular weight of 543.67 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 91278506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).