3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide

C24H28N4O2 — CID 42276090

IUPAC3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
SMILESCc1nc2cc(NC(=O)C(C)C)cc(C(=O)NCC3CC3)c2n1Cc1ccccc1
InChIInChI=1S/C24H28N4O2/c1-15(2)23(29)27-19-11-20(24(30)25-13-17-9-10-17)22-21(12-19)26-16(3)28(22)14-18-7-5-4-6-8-18/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyHQIBLIQBRVNXEJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.13
Rot. Bonds7

About 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide

3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide (PubChem CID 42276090) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
PubChem CID42276090
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
SMILESCc1nc2cc(NC(=O)C(C)C)cc(C(=O)NCC3CC3)c2n1Cc1ccccc1
InChIInChI=1S/C24H28N4O2/c1-15(2)23(29)27-19-11-20(24(30)25-13-17-9-10-17)22-21(12-19)26-16(3)28(22)14-18-7-5-4-6-8-18/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyHQIBLIQBRVNXEJ-UHFFFAOYSA-N
XLogP4.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 42379624
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CID 42276187
methyl (2S)-1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 42164372
(2S)-1-[3-benzyl-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 42170662
3-benzyl-2-methyl-6-(2-methylpropanoylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 45182826
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CID 118755452
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CID 50842284
2-(4-benzylpiperidin-1-yl)-5-(2-methylpropanoylamino)-N-(pyridin-3-ylmethyl)benzamide
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2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methylpropanoylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide?
The IUPAC name of 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide (CID 42276090) is 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide?
The canonical SMILES for 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide is Cc1nc2cc(NC(=O)C(C)C)cc(C(=O)NCC3CC3)c2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide?
The InChIKey is HQIBLIQBRVNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15(2)23(29)27-19-11-20(24(30)25-13-17-9-10-17)22-21(12-19)26-16(3)28(22)14-18-7-5-4-6-8-18/h4-8,11-12,15,17H,9-10,13-14H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide?
3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(cyclopropylmethyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide is sourced from PubChem (CID 42276090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).