3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine

C18H22N6 — CID 129475343

IUPAC3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
SMILESc1cn2c(CN3CCC[C@H]3c3nc4c([nH]3)CCCC4)cnc2cn1
InChIInChI=1S/C18H22N6/c1-2-5-15-14(4-1)21-18(22-15)16-6-3-8-23(16)12-13-10-20-17-11-19-7-9-24(13)17/h7,9-11,16H,1-6,8,12H2,(H,21,22)/t16-/m0/s1
InChIKeySBSKPSOKOHYWSH-INIZCTEOSA-N
MW322.42 g/mol
LogP2.67
Rot. Bonds3

About 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine

3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine (PubChem CID 129475343) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
PubChem CID129475343
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine
SMILESc1cn2c(CN3CCC[C@H]3c3nc4c([nH]3)CCCC4)cnc2cn1
InChIInChI=1S/C18H22N6/c1-2-5-15-14(4-1)21-18(22-15)16-6-3-8-23(16)12-13-10-20-17-11-19-7-9-24(13)17/h7,9-11,16H,1-6,8,12H2,(H,21,22)/t16-/m0/s1
InChIKeySBSKPSOKOHYWSH-INIZCTEOSA-N
XLogP2.67
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-[(2S)-1-[(5-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129338470
2-[(2S)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129477410
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983552
4-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 128979973
3-cyclopropyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 129477485
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
2-ethyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129477813
3-[[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 129344593
N,N-dimethyl-3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 129339384

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine (CID 129475343) is 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine is c1cn2c(CN3CCC[C@H]3c3nc4c([nH]3)CCCC4)cnc2cn1.
What is the InChIKey of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
The InChIKey is SBSKPSOKOHYWSH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N6/c1-2-5-15-14(4-1)21-18(22-15)16-6-3-8-23(16)12-13-10-20-17-11-19-7-9-24(13)17/h7,9-11,16H,1-6,8,12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine?
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine has a molecular weight of 322.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 129475343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).