4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol

C15H23N3O — CID 106350824

IUPAC4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
SMILESCn1c(NC(CCO)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)13(9-10-19)17-14-16-11-7-5-6-8-12(11)18(14)4/h5-8,13,19H,9-10H2,1-4H3,(H,16,17)
InChIKeyHQQMIQDAACOYLY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds4

About 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol

4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol (PubChem CID 106350824) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
PubChem CID106350824
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol
SMILESCn1c(NC(CCO)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3O/c1-15(2,3)13(9-10-19)17-14-16-11-7-5-6-8-12(11)18(14)4/h5-8,13,19H,9-10H2,1-4H3,(H,16,17)
InChIKeyHQQMIQDAACOYLY-UHFFFAOYSA-N
XLogP2.78
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
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
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
4,4-dimethyl-3-[(3-methylquinolin-2-yl)amino]pentan-1-ol
CID 106350873
5-[(1-methylbenzimidazol-2-yl)amino]pentan-2-ol
CID 107269271
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170
2-[(1-methylbenzimidazol-2-yl)amino]ethanethiol
CID 21226750
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
2-[[6-methyl-2-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]ethanol
CID 117089895
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol (CID 106350824) is 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol is Cn1c(NC(CCO)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
The InChIKey is HQQMIQDAACOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)13(9-10-19)17-14-16-11-7-5-6-8-12(11)18(14)4/h5-8,13,19H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol?
4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 106350824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).