2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

C19H20N4O — CID 16665776

IUPAC2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
InChIInChI=1S/C19H20N4O/c1-23-10-9-14(11-23)12-5-7-13(8-6-12)19-21-16-4-2-3-15(18(20)24)17(16)22-19/h2-8,14H,9-11H2,1H3,(H2,20,24)(H,21,22)
InChIKeyOSCYHTCDAZYCLV-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.75
Rot. Bonds3

About 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 16665776) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID16665776
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1
InChIInChI=1S/C19H20N4O/c1-23-10-9-14(11-23)12-5-7-13(8-6-12)19-21-16-4-2-3-15(18(20)24)17(16)22-19/h2-8,14H,9-11H2,1H3,(H2,20,24)(H,21,22)
InChIKeyOSCYHTCDAZYCLV-UHFFFAOYSA-N
XLogP2.75
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 16665776) is 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is CN1CCC(c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)C1.
What is the InChIKey of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is OSCYHTCDAZYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23-10-9-14(11-23)12-5-7-13(8-6-12)19-21-16-4-2-3-15(18(20)24)17(16)22-19/h2-8,14H,9-11H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 16665776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).