1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol

C15H23N3O — CID 79750517

IUPAC1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O/c1-11(2)9-16-10-12(19)8-15-17-13-6-4-5-7-14(13)18(15)3/h4-7,11-12,16,19H,8-10H2,1-3H3
InChIKeyOILRSNXPIIMUFE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.72
Rot. Bonds6

About 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol

1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 79750517) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
PubChem CID79750517
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H23N3O/c1-11(2)9-16-10-12(19)8-15-17-13-6-4-5-7-14(13)18(15)3/h4-7,11-12,16,19H,8-10H2,1-3H3
InChIKeyOILRSNXPIIMUFE-UHFFFAOYSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethylamino)-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79750661
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 79754356
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
2-methyl-4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750882
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
3-[(1-methylbenzimidazol-2-yl)methylamino]propane-1,2-diol
CID 66176732
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
N,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79754110
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753545
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol (CID 79750517) is 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is OILRSNXPIIMUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)9-16-10-12(19)8-15-17-13-6-4-5-7-14(13)18(15)3/h4-7,11-12,16,19H,8-10H2,1-3H3.
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol?
1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 79750517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).