[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene

C25H27N3O — CID 143629716

IUPAC[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1CCCC2.NCc1ccc(-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H13N3.C11H14O/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13;1-12-11-8-4-6-9-5-2-3-7-10(9)11/h1-7,9H,8,15H2,(H,16,17);4,6,8H,2-3,5,7H2,1H3
InChIKeyANPUZEJFSLYFKN-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.26
Rot. Bonds3

About [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene

[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 143629716) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID143629716
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESCOc1cccc2c1CCCC2.NCc1ccc(-c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C14H13N3.C11H14O/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13;1-12-11-8-4-6-9-5-2-3-7-10(9)11/h1-7,9H,8,15H2,(H,16,17);4,6,8H,2-3,5,7H2,1H3
InChIKeyANPUZEJFSLYFKN-UHFFFAOYSA-N
XLogP5.26
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
[6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-3-pyridinyl]methanamine
CID 116820253
2-(3H-benzimidazol-5-yl)-N-(2-methoxyphenyl)acetamide
CID 110772471
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
[4-(aminomethyl)phenyl]-[7-(3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone;dihydrochloride
CID 68773108
ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 143731068
[4-[3-(3H-benzimidazol-5-yl)phenyl]oxan-4-yl]methanamine
CID 166247306
N-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
CID 129168538
3-(3H-benzimidazol-5-yl)-N,N-dimethylbenzamide
CID 175533007
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 50963824
2-[4-(3H-benzimidazol-5-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892604
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614

Frequently Asked Questions

What is the IUPAC name of [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene (CID 143629716) is [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene is COc1cccc2c1CCCC2.NCc1ccc(-c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ANPUZEJFSLYFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C11H14O/c15-8-10-1-3-11(4-2-10)12-5-6-13-14(7-12)17-9-16-13;1-12-11-8-4-6-9-5-2-3-7-10(9)11/h1-7,9H,8,15H2,(H,16,17);4,6,8H,2-3,5,7H2,1H3.
What are the key properties of [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
[4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 385.51 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-benzimidazol-5-yl)phenyl]methanamine;5-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143629716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).