(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine

C15H23N3 — CID 86699046

IUPAC(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine
SMILESCC[C@H](N)c1nc2ccc(CC(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-5-11(16)14-17-12-7-6-10(8-13(12)18-14)9-15(2,3)4/h6-8,11H,5,9,16H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyQJJRTYAPFVMBQE-NSHDSACASA-N
MW245.37 g/mol
LogP3.56
Rot. Bonds3

About (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine

(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine (PubChem CID 86699046) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine
PubChem CID86699046
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine
SMILESCC[C@H](N)c1nc2ccc(CC(C)(C)C)cc2[nH]1
InChIInChI=1S/C15H23N3/c1-5-11(16)14-17-12-7-6-10(8-13(12)18-14)9-15(2,3)4/h6-8,11H,5,9,16H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyQJJRTYAPFVMBQE-NSHDSACASA-N
XLogP3.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
(2R)-2-amino-2-(6-bromo-1H-benzimidazol-2-yl)ethanethiol
CID 97035679
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
2-heptan-3-yl-3H-benzimidazol-5-amine
CID 43125587
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine?
The IUPAC name of (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine (CID 86699046) is (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine?
The canonical SMILES for (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine is CC[C@H](N)c1nc2ccc(CC(C)(C)C)cc2[nH]1.
What is the InChIKey of (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine?
The InChIKey is QJJRTYAPFVMBQE-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3/c1-5-11(16)14-17-12-7-6-10(8-13(12)18-14)9-15(2,3)4/h6-8,11H,5,9,16H2,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine?
(1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(2,2-dimethylpropyl)-1H-benzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 86699046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).