1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol

C13H19N3O — CID 133410270

IUPAC1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c1-13(2,3)11(17)8-14-12-15-9-6-4-5-7-10(9)16-12/h4-7,11,17H,8H2,1-3H3,(H2,14,15,16)
InChIKeyFMURKXVZLAFSSS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds3

About 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol

1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol (PubChem CID 133410270) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
PubChem CID133410270
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H19N3O/c1-13(2,3)11(17)8-14-12-15-9-6-4-5-7-10(9)16-12/h4-7,11,17H,8H2,1-3H3,(H2,14,15,16)
InChIKeyFMURKXVZLAFSSS-UHFFFAOYSA-N
XLogP2.38
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-benzimidazol-2-ylamino)propan-2-ol
CID 2392362
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
2-(1H-benzimidazol-2-ylamino)-1-(3,4-dimethoxyphenyl)ethanol
CID 133410382
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
1-(1H-benzimidazol-2-ylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 133409960
1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
N-[2-(2-methoxyphenoxy)propyl]-1H-benzimidazol-2-amine
CID 133410527
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol (CID 133410270) is 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)CNc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol?
The InChIKey is FMURKXVZLAFSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)11(17)8-14-12-15-9-6-4-5-7-10(9)16-12/h4-7,11,17H,8H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol?
1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol has a molecular weight of 233.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylamino)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 133410270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).