2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol

C13H19N3O — CID 115135155

IUPAC2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
SMILESCn1cnc2cc(NCC(C)(C)CO)ccc21
InChIInChI=1S/C13H19N3O/c1-13(2,8-17)7-14-10-4-5-12-11(6-10)15-9-16(12)3/h4-6,9,14,17H,7-8H2,1-3H3
InChIKeyPVHRXJGBCGCVOW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds4

About 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol

2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol (PubChem CID 115135155) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
PubChem CID115135155
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
SMILESCn1cnc2cc(NCC(C)(C)CO)ccc21
InChIInChI=1S/C13H19N3O/c1-13(2,8-17)7-14-10-4-5-12-11(6-10)15-9-16(12)3/h4-6,9,14,17H,7-8H2,1-3H3
InChIKeyPVHRXJGBCGCVOW-UHFFFAOYSA-N
XLogP2.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
CID 115212382
(1-methylbenzimidazol-5-yl)urea
CID 12521213
ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
CID 115128693
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
CID 115245633
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
3,3-dimethyl-4-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116925164
N-[2-methyl-2-(1-methylbenzimidazol-5-yl)propyl]carbamoyl chloride
CID 115195194
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
1-ethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 866291

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol (CID 115135155) is 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol is Cn1cnc2cc(NCC(C)(C)CO)ccc21.
What is the InChIKey of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol?
The InChIKey is PVHRXJGBCGCVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,8-17)7-14-10-4-5-12-11(6-10)15-9-16(12)3/h4-6,9,14,17H,7-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol?
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 115135155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).