N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide

C23H23N3O2 — CID 3511654

IUPACN-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(CCCc3ccccc3)Cc3ccoc3)cc2[nH]1
InChIInChI=1S/C23H23N3O2/c1-17-24-21-10-9-20(14-22(21)25-17)23(27)26(15-19-11-13-28-16-19)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-11,13-14,16H,5,8,12,15H2,1H3,(H,24,25)
InChIKeyQQLVZQPUJTZCRD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.74
Rot. Bonds7

About N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide

N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide (PubChem CID 3511654) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
PubChem CID3511654
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N(CCCc3ccccc3)Cc3ccoc3)cc2[nH]1
InChIInChI=1S/C23H23N3O2/c1-17-24-21-10-9-20(14-22(21)25-17)23(27)26(15-19-11-13-28-16-19)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-11,13-14,16H,5,8,12,15H2,1H3,(H,24,25)
InChIKeyQQLVZQPUJTZCRD-UHFFFAOYSA-N
XLogP4.74
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-5-(2-methyl-3H-benzimidazol-5-yl)phenyl]methyl]-N-propylbenzamide
CID 70211427
3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
CID 75482711
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71803965
N,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 56884558
N-methyl-2-[(3S)-1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(3-phenylpropyl)acetamide
CID 125013984
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 56753280
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
N-(furan-3-ylmethyl)-N,4-dimethylbenzamide
CID 110868919

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide (CID 3511654) is N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)N(CCCc3ccccc3)Cc3ccoc3)cc2[nH]1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is QQLVZQPUJTZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17-24-21-10-9-20(14-22(21)25-17)23(27)26(15-19-11-13-28-16-19)12-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-11,13-14,16H,5,8,12,15H2,1H3,(H,24,25).
What are the key properties of N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide?
N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methyl-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3511654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).