(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol

C20H21N5O — CID 124588614

IUPAC(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@H](O)Cn3nccc3-c3cccnc3)c2cc1C
InChIInChI=1S/C20H21N5O/c1-14-8-18-20(9-15(14)2)24(13-22-18)11-17(26)12-25-19(5-7-23-25)16-4-3-6-21-10-16/h3-10,13,17,26H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyXKPXOQGBXOVJKF-KRWDZBQOSA-N
MW347.42 g/mol
LogP2.97
Rot. Bonds5

About (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol

(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol (PubChem CID 124588614) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
PubChem CID124588614
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
SMILESCc1cc2ncn(C[C@H](O)Cn3nccc3-c3cccnc3)c2cc1C
InChIInChI=1S/C20H21N5O/c1-14-8-18-20(9-15(14)2)24(13-22-18)11-17(26)12-25-19(5-7-23-25)16-4-3-6-21-10-16/h3-10,13,17,26H,11-12H2,1-2H3/t17-/m0/s1
InChIKeyXKPXOQGBXOVJKF-KRWDZBQOSA-N
XLogP2.97
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 99716189
4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol
CID 86815175
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 75389459
(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 97243193
(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
(2R)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 25384233
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
1-(5,6-dimethylbenzimidazol-1-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 110932874
3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 1120298

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol (CID 124588614) is (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol is Cc1cc2ncn(C[C@H](O)Cn3nccc3-c3cccnc3)c2cc1C.
What is the InChIKey of (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is XKPXOQGBXOVJKF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-8-18-20(9-15(14)2)24(13-22-18)11-17(26)12-25-19(5-7-23-25)16-4-3-6-21-10-16/h3-10,13,17,26H,11-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol?
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 347.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 124588614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).