2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol

C15H23N3O — CID 115250935

IUPAC2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-4-12(10-19)8-18(3)9-13-5-6-14-15(7-13)17-11(2)16-14/h5-7,12,19H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyPSUYOGJTPVOAMJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.32
Rot. Bonds6

About 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol

2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol (PubChem CID 115250935) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
PubChem CID115250935
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-4-12(10-19)8-18(3)9-13-5-6-14-15(7-13)17-11(2)16-14/h5-7,12,19H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyPSUYOGJTPVOAMJ-UHFFFAOYSA-N
XLogP2.32
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine
CID 116930917
2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250906
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244245
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]butan-1-ol
CID 115250928
2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250940
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
1-(2-methyl-3H-benzimidazol-5-yl)propane-1,2,3-triol
CID 170818053

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol (CID 115250935) is 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol?
The InChIKey is PSUYOGJTPVOAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-12(10-19)8-18(3)9-13-5-6-14-15(7-13)17-11(2)16-14/h5-7,12,19H,4,8-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol?
2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115250935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).