(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride

C13H16ClN3O2S — CID 176987845

IUPAC(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2nc(N3CCCCC3)[nH]c2c1
InChIInChI=1S/C13H16ClN3O2S/c14-20(18,19)9-10-4-5-11-12(8-10)16-13(15-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,16)
InChIKeyUNBDZWMOXWMXPW-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.62
Rot. Bonds3

About (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride

(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride (PubChem CID 176987845) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride
PubChem CID176987845
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2nc(N3CCCCC3)[nH]c2c1
InChIInChI=1S/C13H16ClN3O2S/c14-20(18,19)9-10-4-5-11-12(8-10)16-13(15-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,16)
InChIKeyUNBDZWMOXWMXPW-UHFFFAOYSA-N
XLogP2.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-6-methyl-1H-benzimidazole
CID 110376234
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
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6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
8-(6-ethyl-1H-benzimidazol-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 145497597
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46359077
2-(1,4-diazepan-1-yl)-6-methyl-1H-benzimidazole
CID 71022581
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
2-[4-(bromomethyl)piperidin-1-yl]-6-fluoro-1H-benzimidazole
CID 103295605
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
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CID 82563523

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride?
The IUPAC name of (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride (CID 176987845) is (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride?
The canonical SMILES for (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc2nc(N3CCCCC3)[nH]c2c1.
What is the InChIKey of (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride?
The InChIKey is UNBDZWMOXWMXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c14-20(18,19)9-10-4-5-11-12(8-10)16-13(15-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H,15,16).
What are the key properties of (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride?
(2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride has a molecular weight of 313.81 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-3H-benzimidazol-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 176987845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).