N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

C20H22Cl2F2N4O2 — CID 119896427

IUPACN-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H20F2N4O2.2ClH/c1-28-20(6-8-23-9-7-20)19(27)24-13-4-2-12(3-5-13)18-25-16-10-14(21)15(22)11-17(16)26-18;;/h2-5,10-11,23H,6-9H2,1H3,(H,24,27)(H,25,26);2*1H
InChIKeyKMQUCARZZDCOPN-UHFFFAOYSA-N
MW459.32 g/mol
LogP4.06
Rot. Bonds4

About N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride

N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (PubChem CID 119896427) has the molecular formula C20H22Cl2F2N4O2 and a molecular weight of 459.32 g/mol. Its IUPAC name is N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
PubChem CID119896427
Molecular FormulaC20H22Cl2F2N4O2
Molecular Weight459.32 g/mol
Exact Mass458.11
IUPAC NameN-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H20F2N4O2.2ClH/c1-28-20(6-8-23-9-7-20)19(27)24-13-4-2-12(3-5-13)18-25-16-10-14(21)15(22)11-17(16)26-18;;/h2-5,10-11,23H,6-9H2,1H3,(H,24,27)(H,25,26);2*1H
InChIKeyKMQUCARZZDCOPN-UHFFFAOYSA-N
XLogP4.06
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride (CID 119896427) is N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is COC1(C(=O)Nc2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
The InChIKey is KMQUCARZZDCOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2.2ClH/c1-28-20(6-8-23-9-7-20)19(27)24-13-4-2-12(3-5-13)18-25-16-10-14(21)15(22)11-17(16)26-18;;/h2-5,10-11,23H,6-9H2,1H3,(H,24,27)(H,25,26);2*1H.
What are the key properties of N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride?
N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride has a molecular weight of 459.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119896427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).