3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C26H25FN4O — CID 44523865

IUPAC3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1
InChIInChI=1S/C26H25FN4O/c27-22-10-11-23-24(17-22)30-25(29-23)19-8-6-18(7-9-19)20-4-3-5-21(16-20)26(32)28-12-15-31-13-1-2-14-31/h3-11,16-17H,1-2,12-15H2,(H,28,32)(H,29,30)
InChIKeyLNZROXRWPRVYGD-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.86
Rot. Bonds6

About 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 44523865) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID44523865
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1
InChIInChI=1S/C26H25FN4O/c27-22-10-11-23-24(17-22)30-25(29-23)19-8-6-18(7-9-19)20-4-3-5-21(16-20)26(32)28-12-15-31-13-1-2-14-31/h3-11,16-17H,1-2,12-15H2,(H,28,32)(H,29,30)
InChIKeyLNZROXRWPRVYGD-UHFFFAOYSA-N
XLogP4.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 44523865) is 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)cc2)c1.
What is the InChIKey of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is LNZROXRWPRVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-22-10-11-23-24(17-22)30-25(29-23)19-8-6-18(7-9-19)20-4-3-5-21(16-20)26(32)28-12-15-31-13-1-2-14-31/h3-11,16-17H,1-2,12-15H2,(H,28,32)(H,29,30).
What are the key properties of 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 428.51 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 44523865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).