2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole

C14H12N4 — CID 141390668

IUPAC2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole
SMILESc1cnc2c(c1)C[C@@H](c1nc3ccccc3[nH]1)N2
InChIInChI=1S/C14H12N4/c1-2-6-11-10(5-1)16-14(17-11)12-8-9-4-3-7-15-13(9)18-12/h1-7,12H,8H2,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyDHCXOWNKURAQTK-LBPRGKRZSA-N
MW236.28 g/mol
LogP2.67
Rot. Bonds1

About 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole

2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole (PubChem CID 141390668) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole
PubChem CID141390668
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole
SMILESc1cnc2c(c1)C[C@@H](c1nc3ccccc3[nH]1)N2
InChIInChI=1S/C14H12N4/c1-2-6-11-10(5-1)16-14(17-11)12-8-9-4-3-7-15-13(9)18-12/h1-7,12H,8H2,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyDHCXOWNKURAQTK-LBPRGKRZSA-N
XLogP2.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029
2-cyclopenta-2,4-dien-1-yl-1H-benzimidazole
CID 15423365
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 99994993
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-imidazo[4,5-b]pyridine
CID 66394584
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
3-(1H-benzimidazol-2-yl)cyclohexan-1-one
CID 142693354
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
(1R)-2-(1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 175378525
2-[(5R)-3-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1H-benzimidazole
CID 6934859
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-1H-benzimidazole
CID 97223902

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole (CID 141390668) is 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole is c1cnc2c(c1)C[C@@H](c1nc3ccccc3[nH]1)N2.
What is the InChIKey of 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole?
The InChIKey is DHCXOWNKURAQTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12N4/c1-2-6-11-10(5-1)16-14(17-11)12-8-9-4-3-7-15-13(9)18-12/h1-7,12H,8H2,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole?
2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole has a molecular weight of 236.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 141390668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).