N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

C17H16ClN3 — CID 25157553

IUPACN-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESClc1ccc2c(c1)CCCC2Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16ClN3/c18-12-8-9-13-11(10-12)4-3-7-14(13)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21)
InChIKeyFHZMWDRXYFGGNB-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.71
Rot. Bonds2

About N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (PubChem CID 25157553) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
PubChem CID25157553
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESClc1ccc2c(c1)CCCC2Nc1nc2ccccc2[nH]1
InChIInChI=1S/C17H16ClN3/c18-12-8-9-13-11(10-12)4-3-7-14(13)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21)
InChIKeyFHZMWDRXYFGGNB-UHFFFAOYSA-N
XLogP4.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (CID 25157553) is N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is Clc1ccc2c(c1)CCCC2Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The InChIKey is FHZMWDRXYFGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-12-8-9-13-11(10-12)4-3-7-14(13)19-17-20-15-5-1-2-6-16(15)21-17/h1-2,5-6,8-10,14H,3-4,7H2,(H2,19,20,21).
What are the key properties of N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine has a molecular weight of 297.79 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 25157553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).