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

C14H21N3O — CID 65017857

IUPACN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc2nc(CCNC(C)(C)C)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-14(2,3)15-8-7-13-16-11-6-5-10(18-4)9-12(11)17-13/h5-6,9,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyGMAWMRVMPLAYMB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds4

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

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 65017857) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
PubChem CID65017857
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
SMILESCOc1ccc2nc(CCNC(C)(C)C)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-14(2,3)15-8-7-13-16-11-6-5-10(18-4)9-12(11)17-13/h5-6,9,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyGMAWMRVMPLAYMB-UHFFFAOYSA-N
XLogP2.50
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 82336836
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
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
N-[2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-2-methylpropan-2-amine
CID 65485009
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 31075696
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine (CID 65017857) is N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine is COc1ccc2nc(CCNC(C)(C)C)[nH]c2c1.
What is the InChIKey of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is GMAWMRVMPLAYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)15-8-7-13-16-11-6-5-10(18-4)9-12(11)17-13/h5-6,9,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65017857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).