5-(3H-benzimidazol-5-yl)pentan-2-amine

C12H17N3 — CID 116925069

IUPAC5-(3H-benzimidazol-5-yl)pentan-2-amine
SMILESCC(N)CCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H17N3/c1-9(13)3-2-4-10-5-6-11-12(7-10)15-8-14-11/h5-9H,2-4,13H2,1H3,(H,14,15)
InChIKeyMLBSROAGKPEHJE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.23
Rot. Bonds4

About 5-(3H-benzimidazol-5-yl)pentan-2-amine

5-(3H-benzimidazol-5-yl)pentan-2-amine (PubChem CID 116925069) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)pentan-2-amine
PubChem CID116925069
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5-(3H-benzimidazol-5-yl)pentan-2-amine
SMILESCC(N)CCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H17N3/c1-9(13)3-2-4-10-5-6-11-12(7-10)15-8-14-11/h5-9H,2-4,13H2,1H3,(H,14,15)
InChIKeyMLBSROAGKPEHJE-UHFFFAOYSA-N
XLogP2.23
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
6-pentyl-1H-benzimidazole
CID 58767911
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
3-N-[2-(3H-benzimidazol-5-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120132
4-(3H-benzimidazol-5-yl)butan-2-one
CID 82405049
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
N-(3H-benzimidazol-5-ylmethyl)-N-methylpropan-2-amine
CID 117044066
N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252579
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
2-N-(3H-benzimidazol-5-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 117040046

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)pentan-2-amine?
The IUPAC name of 5-(3H-benzimidazol-5-yl)pentan-2-amine (CID 116925069) is 5-(3H-benzimidazol-5-yl)pentan-2-amine.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)pentan-2-amine?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)pentan-2-amine is CC(N)CCCc1ccc2nc[nH]c2c1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)pentan-2-amine?
The InChIKey is MLBSROAGKPEHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(13)3-2-4-10-5-6-11-12(7-10)15-8-14-11/h5-9H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 5-(3H-benzimidazol-5-yl)pentan-2-amine?
5-(3H-benzimidazol-5-yl)pentan-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)pentan-2-amine is sourced from PubChem (CID 116925069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).