[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium

C10H14N3+ — CID 6955866

IUPAC[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
SMILESCC[C@H]([NH3+])c1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3/c1-2-7(11)10-12-8-5-3-4-6-9(8)13-10/h3-7H,2,11H2,1H3,(H,12,13)/p+1/t7-/m0/s1
InChIKeyMBEYZAPSDJKKFV-ZETCQYMHSA-O
MW176.24 g/mol
LogP1.26
Rot. Bonds2

About [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium

[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium (PubChem CID 6955866) has the molecular formula C10H14N3+ and a molecular weight of 176.24 g/mol. Its IUPAC name is [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
PubChem CID6955866
Molecular FormulaC10H14N3+
Molecular Weight176.24 g/mol
Exact Mass176.12
IUPAC Name[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
SMILESCC[C@H]([NH3+])c1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3/c1-2-7(11)10-12-8-5-3-4-6-9(8)13-10/h3-7H,2,11H2,1H3,(H,12,13)/p+1/t7-/m0/s1
InChIKeyMBEYZAPSDJKKFV-ZETCQYMHSA-O
XLogP1.26
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
CID 7008936
[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]azanium
CID 7008937
2-propan-2-yl-1H-benzimidazole
CID 22121
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
2-(1-ethoxypropan-2-yl)-1H-benzimidazole
CID 20681263
N-[1-(1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336426
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
CID 54300780

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium?
The IUPAC name of [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium (CID 6955866) is [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium.
What is the SMILES notation for [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium?
The canonical SMILES for [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium is CC[C@H]([NH3+])c1nc2ccccc2[nH]1.
What is the InChIKey of [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium?
The InChIKey is MBEYZAPSDJKKFV-ZETCQYMHSA-O. The full InChI is InChI=1S/C10H13N3/c1-2-7(11)10-12-8-5-3-4-6-9(8)13-10/h3-7H,2,11H2,1H3,(H,12,13)/p+1/t7-/m0/s1.
What are the key properties of [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium?
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium has a molecular weight of 176.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium is sourced from PubChem (CID 6955866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).