3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine

C13H19N3 — CID 82493432

IUPAC3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H19N3/c1-9(2)11(5-6-14)10-3-4-12-13(7-10)16-8-15-12/h3-4,7-9,11H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyQRIFRTTWFWKHIN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.65
Rot. Bonds4

About 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine

3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine (PubChem CID 82493432) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
PubChem CID82493432
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H19N3/c1-9(2)11(5-6-14)10-3-4-12-13(7-10)16-8-15-12/h3-4,7-9,11H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyQRIFRTTWFWKHIN-UHFFFAOYSA-N
XLogP2.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-pentan-3-yl-1H-benzimidazole
CID 134401277
4-amino-1-(3H-benzimidazol-5-yl)-2-methylbutan-1-one
CID 116916037
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
CID 157410638
CID 157410638
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
2-[amino(3H-benzimidazol-5-yl)methyl]-3-methylbutanoic acid
CID 116945219
2,3-diamino-3-(3H-benzimidazol-5-yl)propan-1-ol
CID 116942422
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine (CID 82493432) is 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine is CC(C)C(CCN)c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine?
The InChIKey is QRIFRTTWFWKHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)11(5-6-14)10-3-4-12-13(7-10)16-8-15-12/h3-4,7-9,11H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine?
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 82493432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).