2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole

C17H23N3 — CID 82501973

IUPAC2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
SMILESc1cc2nc(C3CCCCC3)[nH]c2cc1C1CCNC1
InChIInChI=1S/C17H23N3/c1-2-4-12(5-3-1)17-19-15-7-6-13(10-16(15)20-17)14-8-9-18-11-14/h6-7,10,12,14,18H,1-5,8-9,11H2,(H,19,20)
InChIKeyHRBWGHOCARRWKY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.69
Rot. Bonds2

About 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole

2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole (PubChem CID 82501973) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
PubChem CID82501973
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
SMILESc1cc2nc(C3CCCCC3)[nH]c2cc1C1CCNC1
InChIInChI=1S/C17H23N3/c1-2-4-12(5-3-1)17-19-15-7-6-13(10-16(15)20-17)14-8-9-18-11-14/h6-7,10,12,14,18H,1-5,8-9,11H2,(H,19,20)
InChIKeyHRBWGHOCARRWKY-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688
6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
CID 82502367
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole?
The IUPAC name of 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole (CID 82501973) is 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole.
What is the SMILES notation for 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole?
The canonical SMILES for 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole is c1cc2nc(C3CCCCC3)[nH]c2cc1C1CCNC1.
What is the InChIKey of 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole?
The InChIKey is HRBWGHOCARRWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-4-12(5-3-1)17-19-15-7-6-13(10-16(15)20-17)14-8-9-18-11-14/h6-7,10,12,14,18H,1-5,8-9,11H2,(H,19,20).
What are the key properties of 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole?
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole has a molecular weight of 269.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole is sourced from PubChem (CID 82501973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).