2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole

C16H16FN5 — CID 125419133

IUPAC2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc([C@H]3CCCN3c3ncc(F)cn3)[nH]c2c1
InChIInChI=1S/C16H16FN5/c1-10-4-5-12-13(7-10)21-15(20-12)14-3-2-6-22(14)16-18-8-11(17)9-19-16/h4-5,7-9,14H,2-3,6H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyBKXKKELVQJTAQR-CQSZACIVSA-N
MW297.34 g/mol
LogP3.14
Rot. Bonds2

About 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole

2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole (PubChem CID 125419133) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole
PubChem CID125419133
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc([C@H]3CCCN3c3ncc(F)cn3)[nH]c2c1
InChIInChI=1S/C16H16FN5/c1-10-4-5-12-13(7-10)21-15(20-12)14-3-2-6-22(14)16-18-8-11(17)9-19-16/h4-5,7-9,14H,2-3,6H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyBKXKKELVQJTAQR-CQSZACIVSA-N
XLogP3.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 46992019
6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 45248260
4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 139005528
[2-methyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]methanamine
CID 56714765
9-ethyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
CID 126810476
9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
CID 125419058
2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56885278
[(2S)-1,4-dithian-2-yl]-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124628586
3-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 95725718
cis-(1S,3R)-2,2-dimethyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122065924
[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124614174
2-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 167762189

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole (CID 125419133) is 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole is Cc1ccc2nc([C@H]3CCCN3c3ncc(F)cn3)[nH]c2c1.
What is the InChIKey of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole?
The InChIKey is BKXKKELVQJTAQR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FN5/c1-10-4-5-12-13(7-10)21-15(20-12)14-3-2-6-22(14)16-18-8-11(17)9-19-16/h4-5,7-9,14H,2-3,6H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole?
2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole has a molecular weight of 297.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 125419133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).