2-(azocan-2-yl)-4-methyl-1H-benzimidazole

C15H21N3 — CID 114239782

IUPAC2-(azocan-2-yl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C3CCCCCCN3)nc12
InChIInChI=1S/C15H21N3/c1-11-7-6-9-12-14(11)18-15(17-12)13-8-4-2-3-5-10-16-13/h6-7,9,13,16H,2-5,8,10H2,1H3,(H,17,18)
InChIKeyJSXFOZNPCGNEEG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.47
Rot. Bonds1

About 2-(azocan-2-yl)-4-methyl-1H-benzimidazole

2-(azocan-2-yl)-4-methyl-1H-benzimidazole (PubChem CID 114239782) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(azocan-2-yl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(azocan-2-yl)-4-methyl-1H-benzimidazole
PubChem CID114239782
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(azocan-2-yl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(C3CCCCCCN3)nc12
InChIInChI=1S/C15H21N3/c1-11-7-6-9-12-14(11)18-15(17-12)13-8-4-2-3-5-10-16-13/h6-7,9,13,16H,2-5,8,10H2,1H3,(H,17,18)
InChIKeyJSXFOZNPCGNEEG-UHFFFAOYSA-N
XLogP3.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfonyl-2-piperidin-2-yl-1H-benzimidazole
CID 82008772
4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 84631003
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
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
7-[4-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-cyclodeca[d]imidazol-7-yl]-2-[(2S)-pyrrolidin-2-yl]-3H-benzo[e]benzimidazole
CID 67477656
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517
5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 106322532
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-2-yl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(azocan-2-yl)-4-methyl-1H-benzimidazole (CID 114239782) is 2-(azocan-2-yl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(azocan-2-yl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(azocan-2-yl)-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(C3CCCCCCN3)nc12.
What is the InChIKey of 2-(azocan-2-yl)-4-methyl-1H-benzimidazole?
The InChIKey is JSXFOZNPCGNEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-7-6-9-12-14(11)18-15(17-12)13-8-4-2-3-5-10-16-13/h6-7,9,13,16H,2-5,8,10H2,1H3,(H,17,18).
What are the key properties of 2-(azocan-2-yl)-4-methyl-1H-benzimidazole?
2-(azocan-2-yl)-4-methyl-1H-benzimidazole has a molecular weight of 243.35 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-2-yl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 114239782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).