2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole

C16H21N3 — CID 117391858

IUPAC2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
SMILESc1cc2nc(C3CC3)[nH]c2cc1CC1CCCNC1
InChIInChI=1S/C16H21N3/c1-2-12(10-17-7-1)8-11-3-6-14-15(9-11)19-16(18-14)13-4-5-13/h3,6,9,12-13,17H,1-2,4-5,7-8,10H2,(H,18,19)
InChIKeyZSBNHFRAUIZOLI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.98
Rot. Bonds3

About 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole

2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole (PubChem CID 117391858) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
PubChem CID117391858
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
SMILESc1cc2nc(C3CC3)[nH]c2cc1CC1CCCNC1
InChIInChI=1S/C16H21N3/c1-2-12(10-17-7-1)8-11-3-6-14-15(9-11)19-16(18-14)13-4-5-13/h3,6,9,12-13,17H,1-2,4-5,7-8,10H2,(H,18,19)
InChIKeyZSBNHFRAUIZOLI-UHFFFAOYSA-N
XLogP2.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 116994108
3-[(3-bromo-4-cyclopropylphenyl)methyl]piperidine
CID 84815306
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 116997535

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole?
The IUPAC name of 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole (CID 117391858) is 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole is c1cc2nc(C3CC3)[nH]c2cc1CC1CCCNC1.
What is the InChIKey of 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole?
The InChIKey is ZSBNHFRAUIZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-12(10-17-7-1)8-11-3-6-14-15(9-11)19-16(18-14)13-4-5-13/h3,6,9,12-13,17H,1-2,4-5,7-8,10H2,(H,18,19).
What are the key properties of 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole?
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole has a molecular weight of 255.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 117391858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).