methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate

C18H16N4O3S — CID 118715758

IUPACmethyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)c3c(C)[nH]c4ccccc34)cc2[nH]1
InChIInChI=1S/C18H16N4O3S/c1-10-16(12-5-3-4-6-13(12)19-10)26(24)11-7-8-14-15(9-11)21-17(20-14)22-18(23)25-2/h3-9,19H,1-2H3,(H2,20,21,22,23)
InChIKeyHKBDQAVUOCHXBT-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.70
Rot. Bonds3

About methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate

methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 118715758) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID118715758
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Namemethyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)c3c(C)[nH]c4ccccc34)cc2[nH]1
InChIInChI=1S/C18H16N4O3S/c1-10-16(12-5-3-4-6-13(12)19-10)26(24)11-7-8-14-15(9-11)21-17(20-14)22-18(23)25-2/h3-9,19H,1-2H3,(H2,20,21,22,23)
InChIKeyHKBDQAVUOCHXBT-UHFFFAOYSA-N
XLogP3.70
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate (CID 118715758) is methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(S(=O)c3c(C)[nH]c4ccccc34)cc2[nH]1.
What is the InChIKey of methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is HKBDQAVUOCHXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-16(12-5-3-4-6-13(12)19-10)26(24)11-7-8-14-15(9-11)21-17(20-14)22-18(23)25-2/h3-9,19H,1-2H3,(H2,20,21,22,23).
What are the key properties of methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 368.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[(2-methyl-1H-indol-3-yl)sulfinyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 118715758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).