2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol

C14H21N3O — CID 106185170

IUPAC2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
SMILESCn1c(NC(C)(C)C(C)(C)O)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-13(2,14(3,4)18)16-12-15-10-8-6-7-9-11(10)17(12)5/h6-9,18H,1-5H3,(H,15,16)
InChIKeyDHULLQGHUYQGJS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds3

About 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol

2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol (PubChem CID 106185170) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
PubChem CID106185170
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
SMILESCn1c(NC(C)(C)C(C)(C)O)nc2ccccc21
InChIInChI=1S/C14H21N3O/c1-13(2,14(3,4)18)16-12-15-10-8-6-7-9-11(10)17(12)5/h6-9,18H,1-5H3,(H,15,16)
InChIKeyDHULLQGHUYQGJS-UHFFFAOYSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propan-1-ol
CID 923791
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
CID 106350824
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
N-(1H-indol-3-yl)-1-methylbenzimidazol-2-amine
CID 115143953
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
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol (CID 106185170) is 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol is Cn1c(NC(C)(C)C(C)(C)O)nc2ccccc21.
What is the InChIKey of 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol?
The InChIKey is DHULLQGHUYQGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2,14(3,4)18)16-12-15-10-8-6-7-9-11(10)17(12)5/h6-9,18H,1-5H3,(H,15,16).
What are the key properties of 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol?
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol has a molecular weight of 247.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol is sourced from PubChem (CID 106185170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).