(1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine

C19H24N4O2 — CID 118864461

IUPAC(1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCOc1cc(-c2cc(OC)c3nc([C@H](N)CC(C)C)[nH]c3c2)ccn1
InChIInChI=1S/C19H24N4O2/c1-11(2)7-14(20)19-22-15-8-13(9-16(24-3)18(15)23-19)12-5-6-21-17(10-12)25-4/h5-6,8-11,14H,7,20H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyAFXYJHRIWDIVOJ-CQSZACIVSA-N
MW340.43 g/mol
LogP3.69
Rot. Bonds6

About (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine

(1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 118864461) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine
PubChem CID118864461
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine
SMILESCOc1cc(-c2cc(OC)c3nc([C@H](N)CC(C)C)[nH]c3c2)ccn1
InChIInChI=1S/C19H24N4O2/c1-11(2)7-14(20)19-22-15-8-13(9-16(24-3)18(15)23-19)12-5-6-21-17(10-12)25-4/h5-6,8-11,14H,7,20H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyAFXYJHRIWDIVOJ-CQSZACIVSA-N
XLogP3.69
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine (CID 118864461) is (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine is COc1cc(-c2cc(OC)c3nc([C@H](N)CC(C)C)[nH]c3c2)ccn1.
What is the InChIKey of (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is AFXYJHRIWDIVOJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11(2)7-14(20)19-22-15-8-13(9-16(24-3)18(15)23-19)12-5-6-21-17(10-12)25-4/h5-6,8-11,14H,7,20H2,1-4H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine?
(1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 340.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 118864461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).