1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol

C20H22ClN3O — CID 123964638

IUPAC1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(C(NCC2CC2)C(O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-24-17-8-3-2-7-16(17)23-20(24)18(22-12-13-9-10-13)19(25)14-5-4-6-15(21)11-14/h2-8,11,13,18-19,22,25H,9-10,12H2,1H3
InChIKeyLFJDDBKTDUXRCW-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 123964638) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID123964638
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCn1c(C(NCC2CC2)C(O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C20H22ClN3O/c1-24-17-8-3-2-7-16(17)23-20(24)18(22-12-13-9-10-13)19(25)14-5-4-6-15(21)11-14/h2-8,11,13,18-19,22,25H,9-10,12H2,1H3
InChIKeyLFJDDBKTDUXRCW-UHFFFAOYSA-N
XLogP4.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-(3-chlorophenyl)-4-cyclopropyl-2-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 161319156
(1R,2R)-1-(3-chlorophenyl)-2-(4-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 89490500
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
4-[1-(1-methylbenzimidazol-2-yl)ethylamino]butan-1-ol
CID 106840769
2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64928260
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
(1R)-1-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 40639273
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 123964638) is 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol is Cn1c(C(NCC2CC2)C(O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is LFJDDBKTDUXRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-24-17-8-3-2-7-16(17)23-20(24)18(22-12-13-9-10-13)19(25)14-5-4-6-15(21)11-14/h2-8,11,13,18-19,22,25H,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 355.87 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(cyclopropylmethylamino)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 123964638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).