2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole

C13H17N3 — CID 94217972

IUPAC2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
SMILESC[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3/c1-10-5-4-8-16(9-10)13-14-11-6-2-3-7-12(11)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyXUAVNAVJNFCMTA-JTQLQIEISA-N
MW215.30 g/mol
LogP2.80
Rot. Bonds1

About 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole

2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole (PubChem CID 94217972) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
PubChem CID94217972
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
SMILESC[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3/c1-10-5-4-8-16(9-10)13-14-11-6-2-3-7-12(11)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyXUAVNAVJNFCMTA-JTQLQIEISA-N
XLogP2.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1H-benzimidazole
CID 125141302
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
CID 133411160
1-(1H-benzimidazol-2-yl)-N-[(1-methylimidazol-4-yl)methyl]piperidin-3-amine
CID 167908009
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole (CID 94217972) is 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole is C[C@H]1CCCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole?
The InChIKey is XUAVNAVJNFCMTA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3/c1-10-5-4-8-16(9-10)13-14-11-6-2-3-7-12(11)15-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole?
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole has a molecular weight of 215.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 94217972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).