1-[(1S)-1-phenylethyl]benzimidazol-5-amine

C15H15N3 — CID 687989

IUPAC1-[(1S)-1-phenylethyl]benzimidazol-5-amine
SMILESC[C@@H](c1ccccc1)n1cnc2cc(N)ccc21
InChIInChI=1S/C15H15N3/c1-11(12-5-3-2-4-6-12)18-10-17-14-9-13(16)7-8-15(14)18/h2-11H,16H2,1H3/t11-/m0/s1
InChIKeyKUGQTRSHOZUESN-NSHDSACASA-N
MW237.31 g/mol
LogP3.23
Rot. Bonds2

About 1-[(1S)-1-phenylethyl]benzimidazol-5-amine

1-[(1S)-1-phenylethyl]benzimidazol-5-amine (PubChem CID 687989) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]benzimidazol-5-amine
PubChem CID687989
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-[(1S)-1-phenylethyl]benzimidazol-5-amine
SMILESC[C@@H](c1ccccc1)n1cnc2cc(N)ccc21
InChIInChI=1S/C15H15N3/c1-11(12-5-3-2-4-6-12)18-10-17-14-9-13(16)7-8-15(14)18/h2-11H,16H2,1H3/t11-/m0/s1
InChIKeyKUGQTRSHOZUESN-NSHDSACASA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-aminobenzimidazol-1-yl)-2-phenylacetate
CID 62508537
5,6-difluoro-1-(1-phenylethyl)benzimidazole
CID 116620795
1-(2-methylpentan-3-yl)benzimidazol-5-amine
CID 62506261
1-(3-methylpentan-2-yl)benzimidazol-5-amine
CID 62506740
1-N-propan-2-ylbenzimidazole-1,5-diamine
CID 141134927
3-(5-aminobenzimidazol-1-yl)-3-(4-phenylphenyl)propanoic acid
CID 58653701
methyl 2-(5-aminobenzimidazol-1-yl)-3-methylbutanoate
CID 62508395
3-(5-aminobenzimidazol-1-yl)-3-naphthalen-2-ylpropanoic acid
CID 11681496
1-(2-chlorophenyl)-N-[1-(1-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 2961516
1-benzylbenzimidazol-5-amine;trihydrochloride
CID 53422372
1-[(1S)-1-phenylethyl]imidazol-4-amine
CID 101471354
4-(5-aminobenzimidazol-1-yl)butan-2-ol
CID 64912560

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]benzimidazol-5-amine?
The IUPAC name of 1-[(1S)-1-phenylethyl]benzimidazol-5-amine (CID 687989) is 1-[(1S)-1-phenylethyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]benzimidazol-5-amine?
The canonical SMILES for 1-[(1S)-1-phenylethyl]benzimidazol-5-amine is C[C@@H](c1ccccc1)n1cnc2cc(N)ccc21.
What is the InChIKey of 1-[(1S)-1-phenylethyl]benzimidazol-5-amine?
The InChIKey is KUGQTRSHOZUESN-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3/c1-11(12-5-3-2-4-6-12)18-10-17-14-9-13(16)7-8-15(14)18/h2-11H,16H2,1H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]benzimidazol-5-amine?
1-[(1S)-1-phenylethyl]benzimidazol-5-amine has a molecular weight of 237.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]benzimidazol-5-amine is sourced from PubChem (CID 687989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).