N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide

C16H15N3O2 — CID 47008572

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N3O2/c20-12-7-5-11(6-8-12)9-16(21)17-10-15-18-13-3-1-2-4-14(13)19-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19)
InChIKeyCBIPIPFFPRLDAI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.13
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide (PubChem CID 47008572) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
PubChem CID47008572
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N3O2/c20-12-7-5-11(6-8-12)9-16(21)17-10-15-18-13-3-1-2-4-14(13)19-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19)
InChIKeyCBIPIPFFPRLDAI-UHFFFAOYSA-N
XLogP2.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
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N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
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N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
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N-(1H-benzimidazol-2-ylmethyl)-6-hydroxy-1-benzofuran-2-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
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CID 71627908
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
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CID 103908650

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide (CID 47008572) is N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide?
The InChIKey is CBIPIPFFPRLDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-12-7-5-11(6-8-12)9-16(21)17-10-15-18-13-3-1-2-4-14(13)19-15/h1-8,20H,9-10H2,(H,17,21)(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 47008572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).