6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole

C16H16N4 — CID 67062568

IUPAC6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESc1cc(-c2ccc3nc(C4CCCN4)[nH]c3c2)ccn1
InChIInChI=1S/C16H16N4/c1-2-14(18-7-1)16-19-13-4-3-12(10-15(13)20-16)11-5-8-17-9-6-11/h3-6,8-10,14,18H,1-2,7H2,(H,19,20)
InChIKeyZXQPCVLSKAFOGW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.05
Rot. Bonds2

About 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole

6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole (PubChem CID 67062568) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
PubChem CID67062568
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
SMILESc1cc(-c2ccc3nc(C4CCCN4)[nH]c3c2)ccn1
InChIInChI=1S/C16H16N4/c1-2-14(18-7-1)16-19-13-4-3-12(10-15(13)20-16)11-5-8-17-9-6-11/h3-6,8-10,14,18H,1-2,7H2,(H,19,20)
InChIKeyZXQPCVLSKAFOGW-UHFFFAOYSA-N
XLogP3.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040
2-[(2S)-pyrrolidin-2-yl]-6-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-benzimidazole
CID 66982264
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
2-pyrrolidin-2-yl-4-[4-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenoxy]-1H-benzimidazole
CID 129171884
2,3-bis(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)quinoline
CID 175282242
6-[6-(2-cyclopentyl-3H-indol-5-yl)naphthalen-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 58498768
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
6-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
6-[(2S,5R)-1-(4-phenylphenyl)-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 123863202
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
The IUPAC name of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole (CID 67062568) is 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
The canonical SMILES for 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole is c1cc(-c2ccc3nc(C4CCCN4)[nH]c3c2)ccn1.
What is the InChIKey of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
The InChIKey is ZXQPCVLSKAFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-14(18-7-1)16-19-13-4-3-12(10-15(13)20-16)11-5-8-17-9-6-11/h3-6,8-10,14,18H,1-2,7H2,(H,19,20).
What are the key properties of 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole?
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole has a molecular weight of 264.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole is sourced from PubChem (CID 67062568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).