N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

C17H16ClN3 — CID 25157262

IUPACN-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESClc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C17H16ClN3/c18-12-9-8-11-4-3-7-14(13(11)10-12)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)
InChIKeyOJFKMFUSWAIMDW-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.71
Rot. Bonds2

About N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (PubChem CID 25157262) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
PubChem CID25157262
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESClc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C17H16ClN3/c18-12-9-8-11-4-3-7-14(13(11)10-12)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)
InChIKeyOJFKMFUSWAIMDW-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-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (CID 25157262) is N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is Clc1ccc2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2.
What is the InChIKey of N-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The InChIKey is OJFKMFUSWAIMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-12-9-8-11-4-3-7-14(13(11)10-12)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-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
N-(7-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-(7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 25157262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).