(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine

C12H17N3 — CID 27506225

IUPAC(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCC[C@@H](N)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3/c1-2-3-6-9(13)12-14-10-7-4-5-8-11(10)15-12/h4-5,7-9H,2-3,6,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyUJHPABYZJRSRMS-SECBINFHSA-N
MW203.29 g/mol
LogP2.75
Rot. Bonds4

About (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine

(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 27506225) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID27506225
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
SMILESCCCC[C@@H](N)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3/c1-2-3-6-9(13)12-14-10-7-4-5-8-11(10)15-12/h4-5,7-9H,2-3,6,13H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyUJHPABYZJRSRMS-SECBINFHSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 2771995
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
CID 55104728
1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine
CID 112514528
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
N-[1-(1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336426
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-propan-2-yl-1H-benzimidazole
CID 22121
1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 121471409

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine (CID 27506225) is (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine is CCCC[C@@H](N)c1nc2ccccc2[nH]1.
What is the InChIKey of (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is UJHPABYZJRSRMS-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-3-6-9(13)12-14-10-7-4-5-8-11(10)15-12/h4-5,7-9H,2-3,6,13H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine?
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 27506225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).