N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

C21H20Cl2N4O3 — CID 108561553

IUPACN-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C21H20Cl2N4O3/c1-30-19-15(23)4-3-14(22)18(19)21(29)27-8-6-13(7-9-27)26-20(28)12-2-5-16-17(10-12)25-11-24-16/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)(H,26,28)
InChIKeyCGTHCHLOWOITMW-UHFFFAOYSA-N
MW447.32 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 108561553) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID108561553
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC NameN-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C21H20Cl2N4O3/c1-30-19-15(23)4-3-14(22)18(19)21(29)27-8-6-13(7-9-27)26-20(28)12-2-5-16-17(10-12)25-11-24-16/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)(H,26,28)
InChIKeyCGTHCHLOWOITMW-UHFFFAOYSA-N
XLogP3.91
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 108559370
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550833
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108561636
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 108561553) is N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is COc1c(Cl)ccc(Cl)c1C(=O)N1CCC(NC(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CGTHCHLOWOITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-30-19-15(23)4-3-14(22)18(19)21(29)27-8-6-13(7-9-27)26-20(28)12-2-5-16-17(10-12)25-11-24-16/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)(H,26,28).
What are the key properties of N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108561553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).