N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide

C17H18N4O2 — CID 122179108

IUPACN-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide
SMILESO=C(NCCCNc1nc2ccccc2[nH]1)c1cccc(O)c1
InChIInChI=1S/C17H18N4O2/c22-13-6-3-5-12(11-13)16(23)18-9-4-10-19-17-20-14-7-1-2-8-15(14)21-17/h1-3,5-8,11,22H,4,9-10H2,(H,18,23)(H2,19,20,21)
InChIKeyBTKZNDVINPYVNL-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.50
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide

N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide (PubChem CID 122179108) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide
PubChem CID122179108
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide
SMILESO=C(NCCCNc1nc2ccccc2[nH]1)c1cccc(O)c1
InChIInChI=1S/C17H18N4O2/c22-13-6-3-5-12(11-13)16(23)18-9-4-10-19-17-20-14-7-1-2-8-15(14)21-17/h1-3,5-8,11,22H,4,9-10H2,(H,18,23)(H2,19,20,21)
InChIKeyBTKZNDVINPYVNL-UHFFFAOYSA-N
XLogP2.50
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide (CID 122179108) is N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide is O=C(NCCCNc1nc2ccccc2[nH]1)c1cccc(O)c1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide?
The InChIKey is BTKZNDVINPYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-13-6-3-5-12(11-13)16(23)18-9-4-10-19-17-20-14-7-1-2-8-15(14)21-17/h1-3,5-8,11,22H,4,9-10H2,(H,18,23)(H2,19,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide?
N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide has a molecular weight of 310.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylamino)propyl]-3-hydroxybenzamide is sourced from PubChem (CID 122179108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).