N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine

C15H17N5O — CID 154744650

IUPACN-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
SMILESCn1nccc1[C@H]1OCC[C@@H]1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O/c1-20-13(6-8-16-20)14-12(7-9-21-14)19-15-17-10-4-2-3-5-11(10)18-15/h2-6,8,12,14H,7,9H2,1H3,(H2,17,18,19)/t12-,14-/m0/s1
InChIKeyKEIVSXMRUUBJEV-JSGCOSHPSA-N
MW283.33 g/mol
LogP2.24
Rot. Bonds3

About N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine

N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine (PubChem CID 154744650) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
PubChem CID154744650
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
SMILESCn1nccc1[C@H]1OCC[C@@H]1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O/c1-20-13(6-8-16-20)14-12(7-9-21-14)19-15-17-10-4-2-3-5-11(10)18-15/h2-6,8,12,14H,7,9H2,1H3,(H2,17,18,19)/t12-,14-/m0/s1
InChIKeyKEIVSXMRUUBJEV-JSGCOSHPSA-N
XLogP2.24
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-N-(1H-benzimidazol-2-yl)-2-(2-ethylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001507
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
3-(1,3-benzoxazol-2-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]propanamide
CID 167929245
N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine
CID 113341923
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 63562926
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine (CID 154744650) is N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine is Cn1nccc1[C@H]1OCC[C@@H]1Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine?
The InChIKey is KEIVSXMRUUBJEV-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H17N5O/c1-20-13(6-8-16-20)14-12(7-9-21-14)19-15-17-10-4-2-3-5-11(10)18-15/h2-6,8,12,14H,7,9H2,1H3,(H2,17,18,19)/t12-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine?
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 154744650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).