2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

C20H31N5 — CID 129475107

IUPAC2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCc1nn(C)c(CC)c1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C20H31N5/c1-4-15-14(18(5-2)24(3)23-15)13-25-12-8-11-19(25)20-21-16-9-6-7-10-17(16)22-20/h19H,4-13H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyQNANVQOFDQNUES-IBGZPJMESA-N
MW341.50 g/mol
LogP3.48
Rot. Bonds5

About 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole

2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 129475107) has the molecular formula C20H31N5 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID129475107
Molecular FormulaC20H31N5
Molecular Weight341.50 g/mol
Exact Mass341.26
IUPAC Name2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESCCc1nn(C)c(CC)c1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2
InChIInChI=1S/C20H31N5/c1-4-15-14(18(5-2)24(3)23-15)13-25-12-8-11-19(25)20-21-16-9-6-7-10-17(16)22-20/h19H,4-13H2,1-3H3,(H,21,22)/t19-/m0/s1
InChIKeyQNANVQOFDQNUES-IBGZPJMESA-N
XLogP3.48
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129477813
2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129473203
2-[(2S)-1-[[4-[(S)-methylsulfinyl]phenyl]methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129342670
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
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
4-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]thiadiazole
CID 128979973
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
2-[(2S)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129477410
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-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 129477439
N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
CID 129339520

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole (CID 129475107) is 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is CCc1nn(C)c(CC)c1CN1CCC[C@H]1c1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is QNANVQOFDQNUES-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31N5/c1-4-15-14(18(5-2)24(3)23-15)13-25-12-8-11-19(25)20-21-16-9-6-7-10-17(16)22-20/h19H,4-13H2,1-3H3,(H,21,22)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole?
2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 341.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 129475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).