2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine

C14H19N3O — CID 82835140

IUPAC2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCC3CCC(C)O3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-9-3-5-12(18-9)8-15-11-4-6-13-14(7-11)17-10(2)16-13/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyGJGNSTLWTUIUEC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine

2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine (PubChem CID 82835140) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine
PubChem CID82835140
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCC3CCC(C)O3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-9-3-5-12(18-9)8-15-11-4-6-13-14(7-11)17-10(2)16-13/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17)
InChIKeyGJGNSTLWTUIUEC-UHFFFAOYSA-N
XLogP2.85
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-1H-indol-5-amine
CID 82834234
2-methyl-N-(oxolan-3-ylmethyl)-3H-benzimidazol-5-amine
CID 43746507
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 43746332
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-nitroaniline
CID 82834000
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3H-benzimidazol-5-amine
CID 43746416
N-[(5-methyloxolan-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82834674
N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114262629
2-chloro-N-[(5-methyloxolan-2-yl)methyl]pyridin-4-amine
CID 82835481
3-chloro-4-fluoro-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82834436
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
CID 115229809
4-methyl-N-[(5-methyloxolan-2-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 82835839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine (CID 82835140) is 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine is Cc1nc2ccc(NCC3CCC(C)O3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine?
The InChIKey is GJGNSTLWTUIUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-3-5-12(18-9)8-15-11-4-6-13-14(7-11)17-10(2)16-13/h4,6-7,9,12,15H,3,5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine?
2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyloxolan-2-yl)methyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 82835140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).