4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

C24H29FN4O — CID 68737817

IUPAC4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1nc2ccc(F)cc2n1Cc1ccc(C(=O)N(C)C2CCN(C(C)C)C2)cc1
InChIInChI=1S/C24H29FN4O/c1-16(2)28-12-11-21(15-28)27(4)24(30)19-7-5-18(6-8-19)14-29-17(3)26-22-10-9-20(25)13-23(22)29/h5-10,13,16,21H,11-12,14-15H2,1-4H3
InChIKeyPAIDWPWBGXUSEN-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.09
Rot. Bonds5

About 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 68737817) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID68737817
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1nc2ccc(F)cc2n1Cc1ccc(C(=O)N(C)C2CCN(C(C)C)C2)cc1
InChIInChI=1S/C24H29FN4O/c1-16(2)28-12-11-21(15-28)27(4)24(30)19-7-5-18(6-8-19)14-29-17(3)26-22-10-9-20(25)13-23(22)29/h5-10,13,16,21H,11-12,14-15H2,1-4H3
InChIKeyPAIDWPWBGXUSEN-UHFFFAOYSA-N
XLogP4.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 68737817) is 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is Cc1nc2ccc(F)cc2n1Cc1ccc(C(=O)N(C)C2CCN(C(C)C)C2)cc1.
What is the InChIKey of 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is PAIDWPWBGXUSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-16(2)28-12-11-21(15-28)27(4)24(30)19-7-5-18(6-8-19)14-29-17(3)26-22-10-9-20(25)13-23(22)29/h5-10,13,16,21H,11-12,14-15H2,1-4H3.
What are the key properties of 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 68737817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).