N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine

C15H21N3 — CID 655170

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
SMILESc1ccc2[nH]c(CCNC3CCCCC3)nc2c1
InChIInChI=1S/C15H21N3/c1-2-6-12(7-3-1)16-11-10-15-17-13-8-4-5-9-14(13)18-15/h4-5,8-9,12,16H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyZXBBTVAVSUXKMK-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine

N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine (PubChem CID 655170) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
PubChem CID655170
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine
SMILESc1ccc2[nH]c(CCNC3CCCCC3)nc2c1
InChIInChI=1S/C15H21N3/c1-2-6-12(7-3-1)16-11-10-15-17-13-8-4-5-9-14(13)18-15/h4-5,8-9,12,16H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyZXBBTVAVSUXKMK-UHFFFAOYSA-N
XLogP3.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine (CID 655170) is N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine is c1ccc2[nH]c(CCNC3CCCCC3)nc2c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
The InChIKey is ZXBBTVAVSUXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-6-12(7-3-1)16-11-10-15-17-13-8-4-5-9-14(13)18-15/h4-5,8-9,12,16H,1-3,6-7,10-11H2,(H,17,18).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine?
N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine has a molecular weight of 243.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 655170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).