2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

C26H25FN6O2 — CID 110076054

IUPAC2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN2C(=O)CCc2nc3ccccc3[nH]2)ncc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H25FN6O2/c1-16-19(26(35)30-18-10-8-17(27)9-11-18)15-28-25(29-16)22-7-4-14-33(22)24(34)13-12-23-31-20-5-2-3-6-21(20)32-23/h2-3,5-6,8-11,15,22H,4,7,12-14H2,1H3,(H,30,35)(H,31,32)
InChIKeyVVZXFQLSJYEWNR-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.35
Rot. Bonds6

About 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 110076054) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID110076054
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN2C(=O)CCc2nc3ccccc3[nH]2)ncc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H25FN6O2/c1-16-19(26(35)30-18-10-8-17(27)9-11-18)15-28-25(29-16)22-7-4-14-33(22)24(34)13-12-23-31-20-5-2-3-6-21(20)32-23/h2-3,5-6,8-11,15,22H,4,7,12-14H2,1H3,(H,30,35)(H,31,32)
InChIKeyVVZXFQLSJYEWNR-UHFFFAOYSA-N
XLogP4.35
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
4-methyl-N-phenyl-2-[(2R)-1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92637317
2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92637216
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247458
N-(4-fluorophenyl)-4-methyl-2-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637091

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide (CID 110076054) is 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1nc(C2CCCN2C(=O)CCc2nc3ccccc3[nH]2)ncc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is VVZXFQLSJYEWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-16-19(26(35)30-18-10-8-17(27)9-11-18)15-28-25(29-16)22-7-4-14-33(22)24(34)13-12-23-31-20-5-2-3-6-21(20)32-23/h2-3,5-6,8-11,15,22H,4,7,12-14H2,1H3,(H,30,35)(H,31,32).
What are the key properties of 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110076054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).