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

C29H32N4O2 — CID 11691284

IUPAC2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(CN2CCC(CCOc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C29H32N4O2/c1-20-2-4-22(5-3-20)19-33-15-12-21(13-16-33)14-17-35-25-9-6-23(7-10-25)29-31-26-11-8-24(28(30)34)18-27(26)32-29/h2-11,18,21H,12-17,19H2,1H3,(H2,30,34)(H,31,32)
InChIKeyPMHWBSPJNIWMSY-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.32
Rot. Bonds8

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

2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11691284) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11691284
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(CN2CCC(CCOc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C29H32N4O2/c1-20-2-4-22(5-3-20)19-33-15-12-21(13-16-33)14-17-35-25-9-6-23(7-10-25)29-31-26-11-8-24(28(30)34)18-27(26)32-29/h2-11,18,21H,12-17,19H2,1H3,(H2,30,34)(H,31,32)
InChIKeyPMHWBSPJNIWMSY-UHFFFAOYSA-N
XLogP5.32
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pimobendan
CID 4823
Mrs-1706
CID 5139184
[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
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
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11691284) is 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is Cc1ccc(CN2CCC(CCOc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is PMHWBSPJNIWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20-2-4-22(5-3-20)19-33-15-12-21(13-16-33)14-17-35-25-9-6-23(7-10-25)29-31-26-11-8-24(28(30)34)18-27(26)32-29/h2-11,18,21H,12-17,19H2,1H3,(H2,30,34)(H,31,32).
What are the key properties of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11691284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).