6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole

C21H23N7 — CID 46992019

IUPAC6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(C3CCCN3c3ncc(C)c(-c4cnn(C)c4)n3)[nH]c2c1
InChIInChI=1S/C21H23N7/c1-13-6-7-16-17(9-13)25-20(24-16)18-5-4-8-28(18)21-22-10-14(2)19(26-21)15-11-23-27(3)12-15/h6-7,9-12,18H,4-5,8H2,1-3H3,(H,24,25)
InChIKeyTUCLDEZFBITTGM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.71
Rot. Bonds3

About 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole

6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 46992019) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID46992019
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(C3CCCN3c3ncc(C)c(-c4cnn(C)c4)n3)[nH]c2c1
InChIInChI=1S/C21H23N7/c1-13-6-7-16-17(9-13)25-20(24-16)18-5-4-8-28(18)21-22-10-14(2)19(26-21)15-11-23-27(3)12-15/h6-7,9-12,18H,4-5,8H2,1-3H3,(H,24,25)
InChIKeyTUCLDEZFBITTGM-UHFFFAOYSA-N
XLogP3.71
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 45248260
2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-6-methyl-1H-benzimidazole
CID 125419133
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
[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 124614174
3-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propanoic acid
CID 95725718
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
cis-(1S,3R)-2,2-dimethyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122065924
6-chloro-2-[(2S)-1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 42511441

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole (CID 46992019) is 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole is Cc1ccc2nc(C3CCCN3c3ncc(C)c(-c4cnn(C)c4)n3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is TUCLDEZFBITTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-13-6-7-16-17(9-13)25-20(24-16)18-5-4-8-28(18)21-22-10-14(2)19(26-21)15-11-23-27(3)12-15/h6-7,9-12,18H,4-5,8H2,1-3H3,(H,24,25).
What are the key properties of 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 373.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-[5-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 46992019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).