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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
CID 60588886
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
N-quinolin-3-yl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39857899
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxo-2-phenylpropanenitrile
CID 60977430
N-[2-[[(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 56519413
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 3290235
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 124577149
2-[(1S)-1-(2,3-dihydro-1-benzofuran-5-carbonylamino)ethyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 171389714

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).