2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide

C28H40N6O — CID 135233515

IUPAC2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)Cc3nc4ccccc4[nH]3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C28H40N6O/c1-27(2,3)17-30-22-12-11-19(33-26(22)29-6)18-13-14-28(4,5)23(15-18)34-25(35)16-24-31-20-9-7-8-10-21(20)32-24/h7-12,18,23,30H,13-17H2,1-6H3,(H,29,33)(H,31,32)(H,34,35)
InChIKeyMZGFYFBIKPEKQD-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.48
Rot. Bonds7

About 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide

2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide (PubChem CID 135233515) has the molecular formula C28H40N6O and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
PubChem CID135233515
Molecular FormulaC28H40N6O
Molecular Weight476.67 g/mol
Exact Mass476.33
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)Cc3nc4ccccc4[nH]3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C28H40N6O/c1-27(2,3)17-30-22-12-11-19(33-26(22)29-6)18-13-14-28(4,5)23(15-18)34-25(35)16-24-31-20-9-7-8-10-21(20)32-24/h7-12,18,23,30H,13-17H2,1-6H3,(H,29,33)(H,31,32)(H,34,35)
InChIKeyMZGFYFBIKPEKQD-UHFFFAOYSA-N
XLogP5.48
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide
CID 135233513
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide
CID 135233552
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-4-formylbenzenesulfonamide
CID 135233444
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
CID 126452336
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 71116975
2-(1H-benzimidazol-2-yl)-1-[(4S)-4-methylazepan-1-yl]ethanone
CID 126432563
1-[2-(1H-benzimidazol-2-yl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 77085622
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301
N-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 166217161
2-(1H-benzimidazol-2-yl)acetate
CID 6955878

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide (CID 135233515) is 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide is CNc1nc(C2CCC(C)(C)C(NC(=O)Cc3nc4ccccc4[nH]3)C2)ccc1NCC(C)(C)C.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
The InChIKey is MZGFYFBIKPEKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O/c1-27(2,3)17-30-22-12-11-19(33-26(22)29-6)18-13-14-28(4,5)23(15-18)34-25(35)16-24-31-20-9-7-8-10-21(20)32-24/h7-12,18,23,30H,13-17H2,1-6H3,(H,29,33)(H,31,32)(H,34,35).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide has a molecular weight of 476.67 g/mol, XLogP of 5.48, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 135233515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).