2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine

C17H26N4 — CID 61443744

IUPAC2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCN(CCc1nc2ccc(N)cc2[nH]1)CC1CCCCC1
InChIInChI=1S/C17H26N4/c1-21(12-13-5-3-2-4-6-13)10-9-17-19-15-8-7-14(18)11-16(15)20-17/h7-8,11,13H,2-6,9-10,12,18H2,1H3,(H,19,20)
InChIKeyLUUDGEKEZQFCOP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine

2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine (PubChem CID 61443744) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
PubChem CID61443744
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
SMILESCN(CCc1nc2ccc(N)cc2[nH]1)CC1CCCCC1
InChIInChI=1S/C17H26N4/c1-21(12-13-5-3-2-4-6-13)10-9-17-19-15-8-7-14(18)11-16(15)20-17/h7-8,11,13H,2-6,9-10,12,18H2,1H3,(H,19,20)
InChIKeyLUUDGEKEZQFCOP-UHFFFAOYSA-N
XLogP3.20
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine (CID 61443744) is 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine is CN(CCc1nc2ccc(N)cc2[nH]1)CC1CCCCC1.
What is the InChIKey of 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine?
The InChIKey is LUUDGEKEZQFCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-21(12-13-5-3-2-4-6-13)10-9-17-19-15-8-7-14(18)11-16(15)20-17/h7-8,11,13H,2-6,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine?
2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 61443744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).