(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride

C15H19ClN6O — CID 155939196

IUPAC(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
SMILESCc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(-c2nc3ccccc3[nH]2)n1.Cl
InChIInChI=1S/C15H18N6O.ClH/c1-8-17-14(9-6-10(16)13(22)7-9)21(20-8)15-18-11-4-2-3-5-12(11)19-15;/h2-5,9-10,13,22H,6-7,16H2,1H3,(H,18,19);1H/t9-,10+,13+;/m0./s1
InChIKeyDNJHSASTOQIGQU-XIFXGDJFSA-N
MW334.81 g/mol
LogP1.44
Rot. Bonds2

About (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride

(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride (PubChem CID 155939196) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
PubChem CID155939196
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
SMILESCc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(-c2nc3ccccc3[nH]2)n1.Cl
InChIInChI=1S/C15H18N6O.ClH/c1-8-17-14(9-6-10(16)13(22)7-9)21(20-8)15-18-11-4-2-3-5-12(11)19-15;/h2-5,9-10,13,22H,6-7,16H2,1H3,(H,18,19);1H/t9-,10+,13+;/m0./s1
InChIKeyDNJHSASTOQIGQU-XIFXGDJFSA-N
XLogP1.44
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,5S)-5-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]-2-hydroxycyclohexyl]methanesulfonamide
CID 171159172
1-[(1R,2R,5S)-5-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]-2-hydroxycyclohexyl]-3-phenylurea
CID 171159214
(1R,2R,4S)-2-amino-4-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)cyclohexan-1-ol
CID 171159060
1-[(1R,2R,5S)-5-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)urea
CID 171159216
2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole
CID 74250381
2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
CID 166910996
1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 66489588
2-[5-[(4aR,6S,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazin-6-yl]-1-(1H-benzimidazol-2-yl)-1,2,4-triazol-3-yl]acetamide;acetic acid
CID 155939332
methanamine;2-methyl-1H-benzimidazole
CID 143453689
acetic acid;(1R,2R,4S)-2-amino-4-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol
CID 155940512
1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16584409
2-methyl-1H-benzimidazole
CID 11984

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?
The IUPAC name of (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride (CID 155939196) is (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride.
What is the SMILES notation for (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?
The canonical SMILES for (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride is Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(-c2nc3ccccc3[nH]2)n1.Cl.
What is the InChIKey of (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?
The InChIKey is DNJHSASTOQIGQU-XIFXGDJFSA-N. The full InChI is InChI=1S/C15H18N6O.ClH/c1-8-17-14(9-6-10(16)13(22)7-9)21(20-8)15-18-11-4-2-3-5-12(11)19-15;/h2-5,9-10,13,22H,6-7,16H2,1H3,(H,18,19);1H/t9-,10+,13+;/m0./s1.
What are the key properties of (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?
(1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-amino-4-[2-(1H-benzimidazol-2-yl)-5-methyl-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 155939196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).