4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide

C19H18Cl2N4O — CID 1429871

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C19H18Cl2N4O/c20-13-1-4-15(5-2-13)22-19(26)25-9-7-12(8-10-25)18-23-16-6-3-14(21)11-17(16)24-18/h1-6,11-12H,7-10H2,(H,22,26)(H,23,24)
InChIKeyWIVNZOTTXCOYHF-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.28
Rot. Bonds2

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 1429871) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
PubChem CID1429871
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C19H18Cl2N4O/c20-13-1-4-15(5-2-13)22-19(26)25-9-7-12(8-10-25)18-23-16-6-3-14(21)11-17(16)24-18/h1-6,11-12H,7-10H2,(H,22,26)(H,23,24)
InChIKeyWIVNZOTTXCOYHF-UHFFFAOYSA-N
XLogP5.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide (CID 1429871) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is WIVNZOTTXCOYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-13-1-4-15(5-2-13)22-19(26)25-9-7-12(8-10-25)18-23-16-6-3-14(21)11-17(16)24-18/h1-6,11-12H,7-10H2,(H,22,26)(H,23,24).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 5.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1429871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).