3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide

C21H19N3O3 — CID 91776883

IUPAC3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccco1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H19N3O3/c25-20(22-13-14-8-9-17-18(11-14)24-21(26)23-17)12-16(19-7-4-10-27-19)15-5-2-1-3-6-15/h1-11,16H,12-13H2,(H,22,25)(H2,23,24,26)
InChIKeyRHBAPUBWDDUKQS-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.29
Rot. Bonds6

About 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide

3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide (PubChem CID 91776883) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
PubChem CID91776883
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccco1)NCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C21H19N3O3/c25-20(22-13-14-8-9-17-18(11-14)24-21(26)23-17)12-16(19-7-4-10-27-19)15-5-2-1-3-6-15/h1-11,16H,12-13H2,(H,22,25)(H2,23,24,26)
InChIKeyRHBAPUBWDDUKQS-UHFFFAOYSA-N
XLogP3.29
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylbutanamide
CID 155518930
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
3-(2-methylphenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
CID 155558764
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
2-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]sulfanylacetic acid
CID 120550099
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-(furan-2-yl)-3-phenylpropanamide
CID 137214432
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 129398655
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-phenylacetamide
CID 110772142

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide (CID 91776883) is 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide is O=C(CC(c1ccccc1)c1ccco1)NCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide?
The InChIKey is RHBAPUBWDDUKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(22-13-14-8-9-17-18(11-14)24-21(26)23-17)12-16(19-7-4-10-27-19)15-5-2-1-3-6-15/h1-11,16H,12-13H2,(H,22,25)(H2,23,24,26).
What are the key properties of 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide?
3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide has a molecular weight of 361.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 91776883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).