2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide

C24H28N6O — CID 18537959

IUPAC2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide
SMILESNCc1ccc2nc(Cc3nc4ccc(C(=O)NCC5CCCCC5)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C24H28N6O/c25-13-16-6-8-18-20(10-16)29-22(27-18)12-23-28-19-9-7-17(11-21(19)30-23)24(31)26-14-15-4-2-1-3-5-15/h6-11,15H,1-5,12-14,25H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyQHKZSUNMZUTCSE-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.80
Rot. Bonds6

About 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide

2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 18537959) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID18537959
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide
SMILESNCc1ccc2nc(Cc3nc4ccc(C(=O)NCC5CCCCC5)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C24H28N6O/c25-13-16-6-8-18-20(10-16)29-22(27-18)12-23-28-19-9-7-17(11-21(19)30-23)24(31)26-14-15-4-2-1-3-5-15/h6-11,15H,1-5,12-14,25H2,(H,26,31)(H,27,29)(H,28,30)
InChIKeyQHKZSUNMZUTCSE-UHFFFAOYSA-N
XLogP3.80
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide (CID 18537959) is 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide is NCc1ccc2nc(Cc3nc4ccc(C(=O)NCC5CCCCC5)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is QHKZSUNMZUTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c25-13-16-6-8-18-20(10-16)29-22(27-18)12-23-28-19-9-7-17(11-21(19)30-23)24(31)26-14-15-4-2-1-3-5-15/h6-11,15H,1-5,12-14,25H2,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide?
2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-1H-benzimidazol-2-yl]methyl]-N-(cyclohexylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18537959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).