3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol

C12H17N3O2 — CID 66176732

IUPAC3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
SMILESCn1c(CNCC(O)CO)nc2ccccc21
InChIInChI=1S/C12H17N3O2/c1-15-11-5-3-2-4-10(11)14-12(15)7-13-6-9(17)8-16/h2-5,9,13,16-17H,6-8H2,1H3
InChIKeyRUQXBNYWFPCNPX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.02
Rot. Bonds5

About 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol

3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol (PubChem CID 66176732) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
PubChem CID66176732
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
SMILESCn1c(CNCC(O)CO)nc2ccccc21
InChIInChI=1S/C12H17N3O2/c1-15-11-5-3-2-4-10(11)14-12(15)7-13-6-9(17)8-16/h2-5,9,13,16-17H,6-8H2,1H3
InChIKeyRUQXBNYWFPCNPX-UHFFFAOYSA-N
XLogP0.02
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
CID 79750517
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
1-cyclopropyl-2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 63299001
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
4-methyl-2-[(1-methylbenzimidazol-2-yl)methylamino]pentan-1-ol
CID 63001916
2-ethyl-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]butan-1-ol
CID 103845498
1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
CID 107247403

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol (CID 66176732) is 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol is Cn1c(CNCC(O)CO)nc2ccccc21.
What is the InChIKey of 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol?
The InChIKey is RUQXBNYWFPCNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-11-5-3-2-4-10(11)14-12(15)7-13-6-9(17)8-16/h2-5,9,13,16-17H,6-8H2,1H3.
What are the key properties of 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol?
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol has a molecular weight of 235.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 66176732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).