2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide

C28H30N4O3 — CID 11532902

IUPAC2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CN2CCCC(COc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)C2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-23-9-4-19(5-10-23)16-32-14-2-3-20(17-32)18-35-24-11-6-21(7-12-24)28-30-25-13-8-22(27(29)33)15-26(25)31-28/h4-13,15,20H,2-3,14,16-18H2,1H3,(H2,29,33)(H,30,31)
InChIKeyCRVCITSXFARUFK-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.63
Rot. Bonds8

About 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11532902) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11532902
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CN2CCCC(COc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)C2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-23-9-4-19(5-10-23)16-32-14-2-3-20(17-32)18-35-24-11-6-21(7-12-24)28-30-25-13-8-22(27(29)33)15-26(25)31-28/h4-13,15,20H,2-3,14,16-18H2,1H3,(H2,29,33)(H,30,31)
InChIKeyCRVCITSXFARUFK-UHFFFAOYSA-N
XLogP4.63
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

Pimobendan
CID 4823
Bisbenzimide
CID 1464
Mrs-1706
CID 5139184
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946
Mchb-1
CID 44561533
ethyl 2-[4-(1-piperidyl)phenyl]-1H-benzimidazole-5-carboxylate
CID 126720627
N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 3159995
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
5-tert-Butyl-2-{3-methyl-4-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenyl}-1H-benzoimidazole
CID 11189343

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11532902) is 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide is COc1ccc(CN2CCCC(COc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)C2)cc1.
What is the InChIKey of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CRVCITSXFARUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-23-9-4-19(5-10-23)16-32-14-2-3-20(17-32)18-35-24-11-6-21(7-12-24)28-30-25-13-8-22(27(29)33)15-26(25)31-28/h4-13,15,20H,2-3,14,16-18H2,1H3,(H2,29,33)(H,30,31).
What are the key properties of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11532902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).