5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

C20H23N3O2S — CID 163798643

IUPAC5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESC/C=C(/c1ccccc1)c1cc2c(cc1C)nc(N)n2S(=O)(=O)C(C)C
InChIInChI=1S/C20H23N3O2S/c1-5-16(15-9-7-6-8-10-15)17-12-19-18(11-14(17)4)22-20(21)23(19)26(24,25)13(2)3/h5-13H,1-4H3,(H2,21,22)/b16-5-
InChIKeyNDABMGAULSMDGP-BNCCVWRVSA-N
MW369.49 g/mol
LogP3.96
Rot. Bonds4

About 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 163798643) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID163798643
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESC/C=C(/c1ccccc1)c1cc2c(cc1C)nc(N)n2S(=O)(=O)C(C)C
InChIInChI=1S/C20H23N3O2S/c1-5-16(15-9-7-6-8-10-15)17-12-19-18(11-14(17)4)22-20(21)23(19)26(24,25)13(2)3/h5-13H,1-4H3,(H2,21,22)/b16-5-
InChIKeyNDABMGAULSMDGP-BNCCVWRVSA-N
XLogP3.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 163798643) is 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is C/C=C(/c1ccccc1)c1cc2c(cc1C)nc(N)n2S(=O)(=O)C(C)C.
What is the InChIKey of 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is NDABMGAULSMDGP-BNCCVWRVSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-5-16(15-9-7-6-8-10-15)17-12-19-18(11-14(17)4)22-20(21)23(19)26(24,25)13(2)3/h5-13H,1-4H3,(H2,21,22)/b16-5-.
What are the key properties of 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 369.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(Z)-1-phenylprop-1-enyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 163798643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).