1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide

C23H25N3O2 — CID 74230801

IUPAC1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)N(C/C=C/c3ccccc3)CC3CCCO3)ccc21
InChIInChI=1S/C23H25N3O2/c1-25-17-24-21-15-19(11-12-22(21)25)23(27)26(16-20-10-6-14-28-20)13-5-9-18-7-3-2-4-8-18/h2-5,7-9,11-12,15,17,20H,6,10,13-14,16H2,1H3/b9-5+
InChIKeyIXXGGLGWNCEQGQ-WEVVVXLNSA-N
MW375.47 g/mol
LogP3.91
Rot. Bonds6

About 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide

1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide (PubChem CID 74230801) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
PubChem CID74230801
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide
SMILESCn1cnc2cc(C(=O)N(C/C=C/c3ccccc3)CC3CCCO3)ccc21
InChIInChI=1S/C23H25N3O2/c1-25-17-24-21-15-19(11-12-22(21)25)23(27)26(16-20-10-6-14-28-20)13-5-9-18-7-3-2-4-8-18/h2-5,7-9,11-12,15,17,20H,6,10,13-14,16H2,1H3/b9-5+
InChIKeyIXXGGLGWNCEQGQ-WEVVVXLNSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 125439910
2-ethyl-4-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1,3-thiazole-5-carboxamide
CID 74231482
N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131949751
2-cyclopropyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 97143830
2-cyclopropyl-6-oxo-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]-1H-pyrimidine-5-carboxamide
CID 70708734
3-[2-(2-methylpropyl)pyrazol-3-yl]-1-(oxolan-2-ylmethyl)-1-(3-phenylprop-2-enyl)urea
CID 91939927
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126432973
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 72931700
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940757
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(3-phenylprop-2-enyl)acetamide
CID 91940786
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide (CID 74230801) is 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide is Cn1cnc2cc(C(=O)N(C/C=C/c3ccccc3)CC3CCCO3)ccc21.
What is the InChIKey of 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide?
The InChIKey is IXXGGLGWNCEQGQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25-17-24-21-15-19(11-12-22(21)25)23(27)26(16-20-10-6-14-28-20)13-5-9-18-7-3-2-4-8-18/h2-5,7-9,11-12,15,17,20H,6,10,13-14,16H2,1H3/b9-5+.
What are the key properties of 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide?
1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxolan-2-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 74230801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).