1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide

C16H16N4O2 — CID 137028350

IUPAC1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide
SMILESNCCn1c(-c2ccc(O)cc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C16H16N4O2/c17-7-8-20-14-6-3-11(15(18)22)9-13(14)19-16(20)10-1-4-12(21)5-2-10/h1-6,9,21H,7-8,17H2,(H2,18,22)
InChIKeyKWEZKHGEBPQUGK-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.47
Rot. Bonds4

About 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide

1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide (PubChem CID 137028350) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide
PubChem CID137028350
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide
SMILESNCCn1c(-c2ccc(O)cc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C16H16N4O2/c17-7-8-20-14-6-3-11(15(18)22)9-13(14)19-16(20)10-1-4-12(21)5-2-10/h1-6,9,21H,7-8,17H2,(H2,18,22)
InChIKeyKWEZKHGEBPQUGK-UHFFFAOYSA-N
XLogP1.47
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide (CID 137028350) is 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide is NCCn1c(-c2ccc(O)cc2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is KWEZKHGEBPQUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c17-7-8-20-14-6-3-11(15(18)22)9-13(14)19-16(20)10-1-4-12(21)5-2-10/h1-6,9,21H,7-8,17H2,(H2,18,22).
What are the key properties of 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide?
1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 137028350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).