3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide

C34H32Cl2N4O — CID 25114724

IUPAC3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C34H32Cl2N4O/c35-28-14-12-25(13-15-28)33-38-31-10-1-2-11-32(31)40(33)19-5-18-39-20-16-24(17-21-39)26-6-4-9-30(23-26)37-34(41)27-7-3-8-29(36)22-27/h1-4,6-15,22-24H,5,16-21H2,(H,37,41)
InChIKeyRJMQKFHABFCYKZ-UHFFFAOYSA-N
MW583.56 g/mol
LogP8.53
Rot. Bonds8

About 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide

3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide (PubChem CID 25114724) has the molecular formula C34H32Cl2N4O and a molecular weight of 583.56 g/mol. Its IUPAC name is 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide
PubChem CID25114724
Molecular FormulaC34H32Cl2N4O
Molecular Weight583.56 g/mol
Exact Mass582.20
IUPAC Name3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C34H32Cl2N4O/c35-28-14-12-25(13-15-28)33-38-31-10-1-2-11-32(31)40(33)19-5-18-39-20-16-24(17-21-39)26-6-4-9-30(23-26)37-34(41)27-7-3-8-29(36)22-27/h1-4,6-15,22-24H,5,16-21H2,(H,37,41)
InChIKeyRJMQKFHABFCYKZ-UHFFFAOYSA-N
XLogP8.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.56
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide (CID 25114724) is 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide is O=C(Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide?
The InChIKey is RJMQKFHABFCYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N4O/c35-28-14-12-25(13-15-28)33-38-31-10-1-2-11-32(31)40(33)19-5-18-39-20-16-24(17-21-39)26-6-4-9-30(23-26)37-34(41)27-7-3-8-29(36)22-27/h1-4,6-15,22-24H,5,16-21H2,(H,37,41).
What are the key properties of 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide?
3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide has a molecular weight of 583.56 g/mol, XLogP of 8.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[1-[3-[2-(4-chlorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 25114724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).