1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide

C16H16N4O — CID 151845693

IUPAC1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide
SMILESNCC(c1ccccc1)n1cnc2cc(C(N)=O)ccc21
InChIInChI=1S/C16H16N4O/c17-9-15(11-4-2-1-3-5-11)20-10-19-13-8-12(16(18)21)6-7-14(13)20/h1-8,10,15H,9,17H2,(H2,18,21)
InChIKeySHPHGUNKWVLYDU-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.68
Rot. Bonds4

About 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide

1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 151845693) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide
PubChem CID151845693
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide
SMILESNCC(c1ccccc1)n1cnc2cc(C(N)=O)ccc21
InChIInChI=1S/C16H16N4O/c17-9-15(11-4-2-1-3-5-11)20-10-19-13-8-12(16(18)21)6-7-14(13)20/h1-8,10,15H,9,17H2,(H2,18,21)
InChIKeySHPHGUNKWVLYDU-UHFFFAOYSA-N
XLogP1.68
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-3-phenylpropanethioamide
CID 62780306
3-(5-aminobenzimidazol-1-yl)-3-(4-phenylphenyl)propanoic acid
CID 58653701
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
3-[5-(benzenesulfonamido)benzimidazol-1-yl]-3-phenylpropanoic acid
CID 11668964
2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide
CID 164903398
3-(5-aminobenzimidazol-1-yl)-3-naphthalen-2-ylpropanoic acid
CID 11681496
1-[hydroxy-[4-(trifluoromethyl)cyclohexyl]methyl]benzimidazole-5-carboxamide
CID 135288531
1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazole-5-carboxamide
CID 85152916
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
3-[5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 91102710
3-[5-(benzylcarbamoylamino)benzimidazol-1-yl]-3-phenylpropanoic acid
CID 11604030
N-benzyl-N-methyl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 110765703

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide (CID 151845693) is 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide is NCC(c1ccccc1)n1cnc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is SHPHGUNKWVLYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-15(11-4-2-1-3-5-11)20-10-19-13-8-12(16(18)21)6-7-14(13)20/h1-8,10,15H,9,17H2,(H2,18,21).
What are the key properties of 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide?
1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 151845693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).