N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine

C14H21N3 — CID 82947806

IUPACN-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine
SMILESCc1cc(C)c2nc(CCNC(C)C)[nH]c2c1
InChIInChI=1S/C14H21N3/c1-9(2)15-6-5-13-16-12-8-10(3)7-11(4)14(12)17-13/h7-9,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyQEXKEXDXYXIBDB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds4

About N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine

N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 82947806) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine
PubChem CID82947806
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine
SMILESCc1cc(C)c2nc(CCNC(C)C)[nH]c2c1
InChIInChI=1S/C14H21N3/c1-9(2)15-6-5-13-16-12-8-10(3)7-11(4)14(12)17-13/h7-9,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyQEXKEXDXYXIBDB-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,6-difluoro-1H-benzimidazol-2-yl)ethyl]propan-2-amine
CID 81449443
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-3-methylpentan-1-amine
CID 82947286
2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
CID 82007491
2-(2-cyclopentylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947663
2-(2-cyclohexylethyl)-4,6-dimethyl-1H-benzimidazole
CID 82947050
2-(3-methoxypropyl)-4,6-dimethyl-1H-benzimidazole
CID 82946781
2-(methoxymethyl)-4,6-dimethyl-1H-benzimidazole
CID 82946869
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
1-[(4,6-dimethyl-1H-benzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 82947211
N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 82238183
4,6-dimethyl-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 82940636

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine (CID 82947806) is N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine is Cc1cc(C)c2nc(CCNC(C)C)[nH]c2c1.
What is the InChIKey of N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is QEXKEXDXYXIBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9(2)15-6-5-13-16-12-8-10(3)7-11(4)14(12)17-13/h7-9,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine?
N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-1H-benzimidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82947806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).