methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate

C14H17N3O3S — CID 117065290

IUPACmethyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)C3CCCC3)cc2[nH]1
InChIInChI=1S/C14H17N3O3S/c1-20-14(18)17-13-15-11-7-6-10(8-12(11)16-13)21(19)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyDGUVQBSVQMBPNP-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.79
Rot. Bonds3

About methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate

methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 117065290) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate
PubChem CID117065290
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Namemethyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccc(S(=O)C3CCCC3)cc2[nH]1
InChIInChI=1S/C14H17N3O3S/c1-20-14(18)17-13-15-11-7-6-10(8-12(11)16-13)21(19)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16,17,18)
InChIKeyDGUVQBSVQMBPNP-UHFFFAOYSA-N
XLogP2.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
CID 23190345
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181
propyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonate
CID 10267712
2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CID 138679261
methyl N-[6-(4-acetamidophenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 13484916
methyl N-[6-(3-thiocyanatophenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 88846458
prop-2-enoyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate
CID 10334341
[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl] 4-(propan-2-ylamino)benzenesulfonate
CID 12018856
methyl N-[5,6-bis(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
CID 10065812
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)carbamate
CID 69105949
methyl N-[6-(2,4-dihydroxybenzoyl)-1H-benzimidazol-2-yl]carbamate
CID 118728666

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate (CID 117065290) is methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccc(S(=O)C3CCCC3)cc2[nH]1.
What is the InChIKey of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is DGUVQBSVQMBPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-14(18)17-13-15-11-7-6-10(8-12(11)16-13)21(19)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16,17,18).
What are the key properties of methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 307.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-cyclopentylsulfinyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 117065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).