3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol

C12H17N3O — CID 82493892

IUPAC3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
SMILESCNCCC(O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H17N3O/c1-13-6-5-12(16)9-3-4-11-10(7-9)14-8-15(11)2/h3-4,7-8,12-13,16H,5-6H2,1-2H3
InChIKeyATSMIAGYZYSYTR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.22
Rot. Bonds4

About 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol

3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol (PubChem CID 82493892) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
PubChem CID82493892
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
SMILESCNCCC(O)c1ccc2c(c1)ncn2C
InChIInChI=1S/C12H17N3O/c1-13-6-5-12(16)9-3-4-11-10(7-9)14-8-15(11)2/h3-4,7-8,12-13,16H,5-6H2,1-2H3
InChIKeyATSMIAGYZYSYTR-UHFFFAOYSA-N
XLogP1.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089
N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
CID 116949485
(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
CID 82500614
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
CID 116910227
2-amino-2-(1-methylbenzimidazol-5-yl)acetic acid
CID 82396347
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 116957399

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol?
The IUPAC name of 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol (CID 82493892) is 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol is CNCCC(O)c1ccc2c(c1)ncn2C.
What is the InChIKey of 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol?
The InChIKey is ATSMIAGYZYSYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-13-6-5-12(16)9-3-4-11-10(7-9)14-8-15(11)2/h3-4,7-8,12-13,16H,5-6H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol?
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol has a molecular weight of 219.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol is sourced from PubChem (CID 82493892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).