N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine

C15H23N3O — CID 82336836

IUPACN-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCCOc1ccc2nc(CCNC(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-5-19-11-6-7-12-13(10-11)18-14(17-12)8-9-16-15(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyNTFMNQYXOZXZCI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine

N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 82336836) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
PubChem CID82336836
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCCOc1ccc2nc(CCNC(C)(C)C)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-5-19-11-6-7-12-13(10-11)18-14(17-12)8-9-16-15(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyNTFMNQYXOZXZCI-UHFFFAOYSA-N
XLogP2.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-(6-ethoxy-1H-benzimidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 82337013
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 163425799
2-[(6-ethoxy-1H-benzimidazol-2-yl)methylsulfonyl]acetic acid
CID 82337205
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 27408358
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine (CID 82336836) is N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine is CCOc1ccc2nc(CCNC(C)(C)C)[nH]c2c1.
What is the InChIKey of N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is NTFMNQYXOZXZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-19-11-6-7-12-13(10-11)18-14(17-12)8-9-16-15(2,3)4/h6-7,10,16H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82336836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).