2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol

C12H18N4O — CID 116957549

IUPAC2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
SMILESCNC(c1ccc2c(c1)ncn2C)C(N)CO
InChIInChI=1S/C12H18N4O/c1-14-12(9(13)6-17)8-3-4-11-10(5-8)15-7-16(11)2/h3-5,7,9,12,14,17H,6,13H2,1-2H3
InChIKeyVEFBYUVKALSGIM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.15
Rot. Bonds4

About 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol

2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol (PubChem CID 116957549) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
PubChem CID116957549
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
SMILESCNC(c1ccc2c(c1)ncn2C)C(N)CO
InChIInChI=1S/C12H18N4O/c1-14-12(9(13)6-17)8-3-4-11-10(5-8)15-7-16(11)2/h3-5,7,9,12,14,17H,6,13H2,1-2H3
InChIKeyVEFBYUVKALSGIM-UHFFFAOYSA-N
XLogP0.15
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
CID 116949485
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
2-amino-3-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 116957451
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol (CID 116957549) is 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol is CNC(c1ccc2c(c1)ncn2C)C(N)CO.
What is the InChIKey of 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol?
The InChIKey is VEFBYUVKALSGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-14-12(9(13)6-17)8-3-4-11-10(5-8)15-7-16(11)2/h3-5,7,9,12,14,17H,6,13H2,1-2H3.
What are the key properties of 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol?
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol has a molecular weight of 234.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol is sourced from PubChem (CID 116957549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).