N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H20N4O2 — CID 122179125

IUPACN-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCCNc1nc2ccccc2[nH]1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20N4O2/c24-18(14-6-7-17-13(12-14)8-11-25-17)20-9-3-10-21-19-22-15-4-1-2-5-16(15)23-19/h1-2,4-7,12H,3,8-11H2,(H,20,24)(H2,21,22,23)
InChIKeyFUKSTJGNMZSIML-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.73
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 122179125) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID122179125
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCCCNc1nc2ccccc2[nH]1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20N4O2/c24-18(14-6-7-17-13(12-14)8-11-25-17)20-9-3-10-21-19-22-15-4-1-2-5-16(15)23-19/h1-2,4-7,12H,3,8-11H2,(H,20,24)(H2,21,22,23)
InChIKeyFUKSTJGNMZSIML-UHFFFAOYSA-N
XLogP2.73
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
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]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 122179125) is N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCCCNc1nc2ccccc2[nH]1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is FUKSTJGNMZSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(14-6-7-17-13(12-14)8-11-25-17)20-9-3-10-21-19-22-15-4-1-2-5-16(15)23-19/h1-2,4-7,12H,3,8-11H2,(H,20,24)(H2,21,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 122179125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).