2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide

C20H22N4O2 — CID 11501187

IUPAC2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESC1CNCCC1COC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)N
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
MW350.40 g/mol
LogP2.30
Rot. Bonds5

About 2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide

2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide (PubChem CID 11501187) has the molecular formula C20H22N4O2 and a molecular weight of 350.40 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)-1H-benzo[d]imidazole-5-carboxamide
PubChem CID11501187
Molecular FormulaC20H22N4O2
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name2-[4-(piperidin-4-ylmethoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESC1CNCCC1COC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)N
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
XLogP2.30
TPSA93.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity474

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide?
The IUPAC name of 2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-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)-1H-benzo[d]imidazole-5-carboxamide?
The canonical SMILES for 2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide is C1CNCCC1COC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)N.
What is the InChIKey of 2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-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)-1H-benzo[d]imidazole-5-carboxamide?
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 2.30, 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)-1H-benzo[d]imidazole-5-carboxamide is sourced from PubChem (CID 11501187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).