N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide

C22H35N5O4S — CID 71712463

IUPACN-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCC(C)c1nc2c(C(=O)NCC3CCN(CC(O)CN(C)S(C)(=O)=O)CC3)cccc2[nH]1
InChIInChI=1S/C22H35N5O4S/c1-15(2)21-24-19-7-5-6-18(20(19)25-21)22(29)23-12-16-8-10-27(11-9-16)14-17(28)13-26(3)32(4,30)31/h5-7,15-17,28H,8-14H2,1-4H3,(H,23,29)(H,24,25)
InChIKeyINMZEMMKDSQLJN-UHFFFAOYSA-N
MW465.62 g/mol
LogP1.38
Rot. Bonds9

About N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide

N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 71712463) has the molecular formula C22H35N5O4S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID71712463
Molecular FormulaC22H35N5O4S
Molecular Weight465.62 g/mol
Exact Mass465.24
IUPAC NameN-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
SMILESCC(C)c1nc2c(C(=O)NCC3CCN(CC(O)CN(C)S(C)(=O)=O)CC3)cccc2[nH]1
InChIInChI=1S/C22H35N5O4S/c1-15(2)21-24-19-7-5-6-18(20(19)25-21)22(29)23-12-16-8-10-27(11-9-16)14-17(28)13-26(3)32(4,30)31/h5-7,15-17,28H,8-14H2,1-4H3,(H,23,29)(H,24,25)
InChIKeyINMZEMMKDSQLJN-UHFFFAOYSA-N
XLogP1.38
TPSA118.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide (CID 71712463) is N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide is CC(C)c1nc2c(C(=O)NCC3CCN(CC(O)CN(C)S(C)(=O)=O)CC3)cccc2[nH]1.
What is the InChIKey of N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is INMZEMMKDSQLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O4S/c1-15(2)21-24-19-7-5-6-18(20(19)25-21)22(29)23-12-16-8-10-27(11-9-16)14-17(28)13-26(3)32(4,30)31/h5-7,15-17,28H,8-14H2,1-4H3,(H,23,29)(H,24,25).
What are the key properties of N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?
N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71712463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).