N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

C16H16N4 — CID 80548130

IUPACN-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESc1cc2c(c(Nc3nc4ccccc4[nH]3)c1)CCNC2
InChIInChI=1S/C16H16N4/c1-2-6-15-14(5-1)19-16(20-15)18-13-7-3-4-11-10-17-9-8-12(11)13/h1-7,17H,8-10H2,(H2,18,19,20)
InChIKeyIOBXKSLVZYJJMU-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.95
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine

N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (PubChem CID 80548130) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
PubChem CID80548130
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine
SMILESc1cc2c(c(Nc3nc4ccccc4[nH]3)c1)CCNC2
InChIInChI=1S/C16H16N4/c1-2-6-15-14(5-1)19-16(20-15)18-13-7-3-4-11-10-17-9-8-12(11)13/h1-7,17H,8-10H2,(H2,18,19,20)
InChIKeyIOBXKSLVZYJJMU-UHFFFAOYSA-N
XLogP2.95
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine (CID 80548130) is N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is c1cc2c(c(Nc3nc4ccccc4[nH]3)c1)CCNC2.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
The InChIKey is IOBXKSLVZYJJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-6-15-14(5-1)19-16(20-15)18-13-7-3-4-11-10-17-9-8-12(11)13/h1-7,17H,8-10H2,(H2,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine?
N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine has a molecular weight of 264.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-5-amine is sourced from PubChem (CID 80548130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).