2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide

C22H26N4O2 — CID 11538128

IUPAC2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H26N4O2/c23-21(27)17-7-10-19-20(15-17)25-22(24-19)16-5-8-18(9-6-16)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,23,27)(H,24,25)
InChIKeyAFJNYFFOQKLPAV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.58
Rot. Bonds7

About 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11538128) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11538128
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCCCN4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C22H26N4O2/c23-21(27)17-7-10-19-20(15-17)25-22(24-19)16-5-8-18(9-6-16)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,23,27)(H,24,25)
InChIKeyAFJNYFFOQKLPAV-UHFFFAOYSA-N
XLogP3.58
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
2-[4-[2-(1-phenylpiperidin-4-yl)ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 67073354
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690240
2-[4-[(1-benzylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 11524997
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]oxyphenyl]-3H-benzimidazole-5-carboxamide
CID 11705277
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 162642784
4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91837733
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
6-(methoxymethyl)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-quinazolin-4-one
CID 172703323
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 11538128) is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCCCN4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is AFJNYFFOQKLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-21(27)17-7-10-19-20(15-17)25-22(24-19)16-5-8-18(9-6-16)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,23,27)(H,24,25).
What are the key properties of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11538128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).