(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine

C16H21N7O2 — CID 99926108

IUPAC(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnnc1[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C16H21N7O2/c1-24-8-7-23-16(19-20-21-23)14-10-22(6-9-25-14)11-15-17-12-4-2-3-5-13(12)18-15/h2-5,14H,6-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyGJIFMDWJZCZEKA-CQSZACIVSA-N
MW343.39 g/mol
LogP0.77
Rot. Bonds6

About (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine

(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine (PubChem CID 99926108) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine
PubChem CID99926108
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnnc1[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1
InChIInChI=1S/C16H21N7O2/c1-24-8-7-23-16(19-20-21-23)14-10-22(6-9-25-14)11-15-17-12-4-2-3-5-13(12)18-15/h2-5,14H,6-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyGJIFMDWJZCZEKA-CQSZACIVSA-N
XLogP0.77
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The IUPAC name of (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine (CID 99926108) is (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine.
What is the SMILES notation for (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The canonical SMILES for (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine is COCCn1nnnc1[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1.
What is the InChIKey of (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The InChIKey is GJIFMDWJZCZEKA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-24-8-7-23-16(19-20-21-23)14-10-22(6-9-25-14)11-15-17-12-4-2-3-5-13(12)18-15/h2-5,14H,6-11H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine?
(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine has a molecular weight of 343.39 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine is sourced from PubChem (CID 99926108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).