2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol

C12H16N2O — CID 116928691

IUPAC2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
SMILESCc1nc2ccc(CC(C)(C)O)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-8-13-10-5-4-9(6-11(10)14-8)7-12(2,3)15/h4-6,15H,7H2,1-3H3,(H,13,14)
InChIKeyCVXMBSPWMSPVRK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.18
Rot. Bonds2

About 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol

2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol (PubChem CID 116928691) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
PubChem CID116928691
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
SMILESCc1nc2ccc(CC(C)(C)O)cc2[nH]1
InChIInChI=1S/C12H16N2O/c1-8-13-10-5-4-9(6-11(10)14-8)7-12(2,3)15/h4-6,15H,7H2,1-3H3,(H,13,14)
InChIKeyCVXMBSPWMSPVRK-UHFFFAOYSA-N
XLogP2.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 116838286
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-methyl-1-(2-methyl-1H-indol-6-yl)propan-2-ol
CID 117204834
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzoic acid
CID 116927206
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
2-methyl-1-(2-methyl-1H-indol-5-yl)propan-2-ol
CID 117204563
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol (CID 116928691) is 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol is Cc1nc2ccc(CC(C)(C)O)cc2[nH]1.
What is the InChIKey of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol?
The InChIKey is CVXMBSPWMSPVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-13-10-5-4-9(6-11(10)14-8)7-12(2,3)15/h4-6,15H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol?
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol is sourced from PubChem (CID 116928691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).