N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C24H21N3O2 — CID 86846813

IUPACN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCn1c(C(NC(=O)c2ccc3c(c2)CCO3)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-27-20-10-6-5-9-19(20)25-23(27)22(16-7-3-2-4-8-16)26-24(28)18-11-12-21-17(15-18)13-14-29-21/h2-12,15,22H,13-14H2,1H3,(H,26,28)
InChIKeyZUFQKTXEYQZMGN-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.03
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86846813) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86846813
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCn1c(C(NC(=O)c2ccc3c(c2)CCO3)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-27-20-10-6-5-9-19(20)25-23(27)22(16-7-3-2-4-8-16)26-24(28)18-11-12-21-17(15-18)13-14-29-21/h2-12,15,22H,13-14H2,1H3,(H,26,28)
InChIKeyZUFQKTXEYQZMGN-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86846813) is N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is Cn1c(C(NC(=O)c2ccc3c(c2)CCO3)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is ZUFQKTXEYQZMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-27-20-10-6-5-9-19(20)25-23(27)22(16-7-3-2-4-8-16)26-24(28)18-11-12-21-17(15-18)13-14-29-21/h2-12,15,22H,13-14H2,1H3,(H,26,28).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86846813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).