2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole

C25H31N5 — CID 144805141

IUPAC2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole
SMILESCN1CCCC1c1c[nH]c2ccccc12.CN1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C13H16N2.C12H15N3/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12;1-15-8-4-7-11(15)12-13-9-5-2-3-6-10(9)14-12/h2-3,5-6,9,13-14H,4,7-8H2,1H3;2-3,5-6,11H,4,7-8H2,1H3,(H,13,14)/t;11-/m.0/s1
InChIKeyDAZHSCYVQJEKRN-WUSPCOQVSA-N
MW401.56 g/mol
LogP5.26
Rot. Bonds2

About 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole

2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole (PubChem CID 144805141) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole.

Molecular Properties

Compound Name2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole
PubChem CID144805141
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC Name2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole
SMILESCN1CCCC1c1c[nH]c2ccccc12.CN1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C13H16N2.C12H15N3/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12;1-15-8-4-7-11(15)12-13-9-5-2-3-6-10(9)14-12/h2-3,5-6,9,13-14H,4,7-8H2,1H3;2-3,5-6,11H,4,7-8H2,1H3,(H,13,14)/t;11-/m.0/s1
InChIKeyDAZHSCYVQJEKRN-WUSPCOQVSA-N
XLogP5.26
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 51269932
3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 124879493
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
(2S)-2-(1H-benzimidazol-2-yl)-1-methylpiperidine-4,4-diol
CID 125496316
6-methyl-2-(1-methylpyrrolidin-2-yl)-3H-imidazo[4,5-c]pyridine
CID 167170087
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
2-(1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175073604
3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole
CID 13070747
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 51278456
2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136851165
2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136664971

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole?
The IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole (CID 144805141) is 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole.
What is the SMILES notation for 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole?
The canonical SMILES for 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole is CN1CCCC1c1c[nH]c2ccccc12.CN1CCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole?
The InChIKey is DAZHSCYVQJEKRN-WUSPCOQVSA-N. The full InChI is InChI=1S/C13H16N2.C12H15N3/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12;1-15-8-4-7-11(15)12-13-9-5-2-3-6-10(9)14-12/h2-3,5-6,9,13-14H,4,7-8H2,1H3;2-3,5-6,11H,4,7-8H2,1H3,(H,13,14)/t;11-/m.0/s1.
What are the key properties of 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole?
2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole has a molecular weight of 401.56 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole is sourced from PubChem (CID 144805141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).