N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride

C12H17ClN4 — CID 71637322

IUPACN-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.c1ccc2[nH]c(N[C@@H]3CCCNC3)nc2c1
InChIInChI=1S/C12H16N4.ClH/c1-2-6-11-10(5-1)15-12(16-11)14-9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2,(H2,14,15,16);1H/t9-;/m1./s1
InChIKeyGAVMXUFPKSPAFM-SBSPUUFOSA-N
MW252.75 g/mol
LogP2.15
Rot. Bonds2

About N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride

N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 71637322) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
PubChem CID71637322
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC NameN-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.c1ccc2[nH]c(N[C@@H]3CCCNC3)nc2c1
InChIInChI=1S/C12H16N4.ClH/c1-2-6-11-10(5-1)15-12(16-11)14-9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2,(H2,14,15,16);1H/t9-;/m1./s1
InChIKeyGAVMXUFPKSPAFM-SBSPUUFOSA-N
XLogP2.15
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637328
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
6-nitro-N-piperidin-3-yl-1H-benzimidazol-2-amine
CID 71635836
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
N-piperidin-3-ylpyridin-2-amine
CID 63321128
N-methyl-N-piperidin-3-yl-1H-benzimidazole-2-sulfonamide;hydrochloride
CID 71641343
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride (CID 71637322) is N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride is Cl.c1ccc2[nH]c(N[C@@H]3CCCNC3)nc2c1.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is GAVMXUFPKSPAFM-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H16N4.ClH/c1-2-6-11-10(5-1)15-12(16-11)14-9-4-3-7-13-8-9;/h1-2,5-6,9,13H,3-4,7-8H2,(H2,14,15,16);1H/t9-;/m1./s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride?
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 71637322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).