2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide

C19H20N4O — CID 18676146

IUPAC2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCC4)c3)nc12
InChIInChI=1S/C19H20N4O/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)14-6-3-5-13(11-14)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H2,20,24)(H,21,22)
InChIKeySTWIULUGHIVKTP-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.92
Rot. Bonds4

About 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide

2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 18676146) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID18676146
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCC4)c3)nc12
InChIInChI=1S/C19H20N4O/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)14-6-3-5-13(11-14)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H2,20,24)(H,21,22)
InChIKeySTWIULUGHIVKTP-UHFFFAOYSA-N
XLogP2.92
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 18676146) is 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCC4)c3)nc12.
What is the InChIKey of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is STWIULUGHIVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-18(24)15-7-4-8-16-17(15)22-19(21-16)14-6-3-5-13(11-14)12-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H2,20,24)(H,21,22).
What are the key properties of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 18676146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).