2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide

C16H16N4O — CID 68970037

IUPAC2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
SMILESNc1nc2c(C(=O)NCCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C16H16N4O/c17-16-19-13-8-4-7-12(14(13)20-16)15(21)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,21)(H3,17,19,20)
InChIKeyFRCFYUABZSQPNP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide

2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 68970037) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
PubChem CID68970037
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
SMILESNc1nc2c(C(=O)NCCc3ccccc3)cccc2[nH]1
InChIInChI=1S/C16H16N4O/c17-16-19-13-8-4-7-12(14(13)20-16)15(21)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,21)(H3,17,19,20)
InChIKeyFRCFYUABZSQPNP-UHFFFAOYSA-N
XLogP2.12
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(4-phenoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
CID 68973860
2-amino-N-methyl-1H-benzimidazole-4-carboxamide
CID 166892984
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807337
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-amino-5,8-dibromo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 53299576
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide (CID 68970037) is 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide is Nc1nc2c(C(=O)NCCc3ccccc3)cccc2[nH]1.
What is the InChIKey of 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is FRCFYUABZSQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-16-19-13-8-4-7-12(14(13)20-16)15(21)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,18,21)(H3,17,19,20).
What are the key properties of 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide?
2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenylethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 68970037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).