2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol

C12H17N3O — CID 923791

IUPAC2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
SMILESCn1c(NC(C)(C)CO)nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-12(2,8-16)14-11-13-9-6-4-5-7-10(9)15(11)3/h4-7,16H,8H2,1-3H3,(H,13,14)
InChIKeyILSZCWDHPKUNIG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol

2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol (PubChem CID 923791) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
PubChem CID923791
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
SMILESCn1c(NC(C)(C)CO)nc2ccccc21
InChIInChI=1S/C12H17N3O/c1-12(2,8-16)14-11-13-9-6-4-5-7-10(9)15(11)3/h4-7,16H,8H2,1-3H3,(H,13,14)
InChIKeyILSZCWDHPKUNIG-UHFFFAOYSA-N
XLogP1.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 106350824
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271
N-(4-chlorobutyl)-1-methylbenzimidazol-2-amine
CID 106845045
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
N-(3-cyclopentylpropyl)-1-methylbenzimidazol-2-amine
CID 106012665
2-ethyl-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]butan-1-ol
CID 103845498
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylbenzimidazol-2-amine
CID 115455796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol (CID 923791) is 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol is Cn1c(NC(C)(C)CO)nc2ccccc21.
What is the InChIKey of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol?
The InChIKey is ILSZCWDHPKUNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,8-16)14-11-13-9-6-4-5-7-10(9)15(11)3/h4-7,16H,8H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol?
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 923791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).