2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

C18H23N5 — CID 129476225

IUPAC2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc(C2CC2)n1
InChIInChI=1S/C18H23N5/c1-2-5-14-13(4-1)20-18(21-14)15-6-3-11-23(15)16-9-10-19-17(22-16)12-7-8-12/h9-10,12,15H,1-8,11H2,(H,20,21)/t15-/m0/s1
InChIKeySYXGEYIFTAHNTJ-HNNXBMFYSA-N
MW309.42 g/mol
LogP3.30
Rot. Bonds3

About 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 129476225) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID129476225
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESc1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc(C2CC2)n1
InChIInChI=1S/C18H23N5/c1-2-5-14-13(4-1)20-18(21-14)15-6-3-11-23(15)16-9-10-19-17(22-16)12-7-8-12/h9-10,12,15H,1-8,11H2,(H,20,21)/t15-/m0/s1
InChIKeySYXGEYIFTAHNTJ-HNNXBMFYSA-N
XLogP3.30
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole with MolForge

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Related Compounds

2-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209654
2-[(2R)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-1-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 129333984
2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129336578
3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129477485
N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 129336758
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
(4aS,8aR)-4-(2-cyclopropylpyrimidin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 99633202
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
CID 129475343
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
2-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidine
CID 110104269
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 129476225) is 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is c1cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)nc(C2CC2)n1.
What is the InChIKey of 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is SYXGEYIFTAHNTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-5-14-13(4-1)20-18(21-14)15-6-3-11-23(15)16-9-10-19-17(22-16)12-7-8-12/h9-10,12,15H,1-8,11H2,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 309.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 129476225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).