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

C20H22N4O2 — CID 11501187

IUPAC2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCNCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c21-19(25)15-3-6-17-18(11-15)24-20(23-17)14-1-4-16(5-2-14)26-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H2,21,25)(H,23,24)
InChIKeyUAGGEYIEZHEDQH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.71
Rot. Bonds5

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

2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11501187) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11501187
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(OCC4CCNCC4)cc3)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c21-19(25)15-3-6-17-18(11-15)24-20(23-17)14-1-4-16(5-2-14)26-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H2,21,25)(H,23,24)
InChIKeyUAGGEYIEZHEDQH-UHFFFAOYSA-N
XLogP2.71
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Mrs-1706
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2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
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Mchb-1
CID 44561533
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
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CID 10292240
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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
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167
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-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 11501187) is 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(OCC4CCNCC4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is UAGGEYIEZHEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-19(25)15-3-6-17-18(11-15)24-20(23-17)14-1-4-16(5-2-14)26-12-13-7-9-22-10-8-13/h1-6,11,13,22H,7-10,12H2,(H2,21,25)(H,23,24).
What are the key properties of 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11501187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).