3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol

C15H23N3O — CID 115135338

IUPAC3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1nc2cc(CNCC(C)(C)CO)ccc2n1C
InChIInChI=1S/C15H23N3O/c1-11-17-13-7-12(5-6-14(13)18(11)4)8-16-9-15(2,3)10-19/h5-7,16,19H,8-10H2,1-4H3
InChIKeySOKMUJFONUEXLL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds5

About 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol

3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115135338) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID115135338
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1nc2cc(CNCC(C)(C)CO)ccc2n1C
InChIInChI=1S/C15H23N3O/c1-11-17-13-7-12(5-6-14(13)18(11)4)8-16-9-15(2,3)10-19/h5-7,16,19H,8-10H2,1-4H3
InChIKeySOKMUJFONUEXLL-UHFFFAOYSA-N
XLogP1.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-methylpropane-1,2-diamine
CID 115135940
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
CID 115133588
1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 131921133
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2-oxoacetate
CID 115142414
1-benzyl-3-[(1,2-dimethylbenzimidazol-5-yl)methyl]urea
CID 110775488
2-[(1,2-dimethylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115130198
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-2-ethylbutanamide
CID 110785953
2-[4-[[(1,2-dimethylbenzimidazol-5-yl)methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131927451

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol (CID 115135338) is 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol is Cc1nc2cc(CNCC(C)(C)CO)ccc2n1C.
What is the InChIKey of 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is SOKMUJFONUEXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-17-13-7-12(5-6-14(13)18(11)4)8-16-9-15(2,3)10-19/h5-7,16,19H,8-10H2,1-4H3.
What are the key properties of 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylbenzimidazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).