2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C19H27N5O — CID 110908367

IUPAC2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCCn1c(C(C)NCc2c(C)nn(CCO)c2C)nc2ccccc21
InChIInChI=1S/C19H27N5O/c1-5-23-18-9-7-6-8-17(18)21-19(23)14(3)20-12-16-13(2)22-24(10-11-25)15(16)4/h6-9,14,20,25H,5,10-12H2,1-4H3
InChIKeyPECZWWVQZHDPDR-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.71
Rot. Bonds7

About 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 110908367) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID110908367
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCCn1c(C(C)NCc2c(C)nn(CCO)c2C)nc2ccccc21
InChIInChI=1S/C19H27N5O/c1-5-23-18-9-7-6-8-17(18)21-19(23)14(3)20-12-16-13(2)22-24(10-11-25)15(16)4/h6-9,14,20,25H,5,10-12H2,1-4H3
InChIKeyPECZWWVQZHDPDR-UHFFFAOYSA-N
XLogP2.71
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905540
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905546
3-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]benzamide
CID 119112037
2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
CID 95582519
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
2-[3,5-dimethyl-4-[[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95277089
2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
CID 111468987
methyl 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-2,6-dimethylphenoxy]acetate
CID 119112027
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 110908367) is 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is CCn1c(C(C)NCc2c(C)nn(CCO)c2C)nc2ccccc21.
What is the InChIKey of 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is PECZWWVQZHDPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-23-18-9-7-6-8-17(18)21-19(23)14(3)20-12-16-13(2)22-24(10-11-25)15(16)4/h6-9,14,20,25H,5,10-12H2,1-4H3.
What are the key properties of 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 341.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110908367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).