1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

C20H32N4O — CID 110897311

IUPAC1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCc1cc2ncn(CC(O)CN3CCN(CC(C)C)CC3)c2cc1C
InChIInChI=1S/C20H32N4O/c1-15(2)11-22-5-7-23(8-6-22)12-18(25)13-24-14-21-19-9-16(3)17(4)10-20(19)24/h9-10,14-15,18,25H,5-8,11-13H2,1-4H3
InChIKeyLNKIFGTXTNUEMH-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.29
Rot. Bonds6

About 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol

1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (PubChem CID 110897311) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
PubChem CID110897311
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
SMILESCc1cc2ncn(CC(O)CN3CCN(CC(C)C)CC3)c2cc1C
InChIInChI=1S/C20H32N4O/c1-15(2)11-22-5-7-23(8-6-22)12-18(25)13-24-14-21-19-9-16(3)17(4)10-20(19)24/h9-10,14-15,18,25H,5-8,11-13H2,1-4H3
InChIKeyLNKIFGTXTNUEMH-UHFFFAOYSA-N
XLogP2.29
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6-dimethylbenzimidazol-1-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 110932874
(2S)-1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 99716189
(2R)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 95350368
1-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 110921650
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 97243193
1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 75389459
(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
CID 51704130
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 766433
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 97243184
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(2-methylsulfonylimidazol-1-yl)propan-2-ol
CID 97243145
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 742001

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol (CID 110897311) is 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol is Cc1cc2ncn(CC(O)CN3CCN(CC(C)C)CC3)c2cc1C.
What is the InChIKey of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is LNKIFGTXTNUEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-15(2)11-22-5-7-23(8-6-22)12-18(25)13-24-14-21-19-9-16(3)17(4)10-20(19)24/h9-10,14-15,18,25H,5-8,11-13H2,1-4H3.
What are the key properties of 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol?
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol has a molecular weight of 344.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 110897311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).