[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride

C21H28ClN3O — CID 3039565

IUPAC[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCCCn1c(C(O)c2ccc(N(CC)CC)cc2)nc2ccccc21.Cl
InChIInChI=1S/C21H27N3O.ClH/c1-4-15-24-19-10-8-7-9-18(19)22-21(24)20(25)16-11-13-17(14-12-16)23(5-2)6-3;/h7-14,20,25H,4-6,15H2,1-3H3;1H
InChIKeyLPVDNASEZWCTCJ-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.80
Rot. Bonds7

About [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride

[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride (PubChem CID 3039565) has the molecular formula C21H28ClN3O and a molecular weight of 373.93 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride
PubChem CID3039565
Molecular FormulaC21H28ClN3O
Molecular Weight373.93 g/mol
Exact Mass373.19
IUPAC Name[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride
SMILESCCCn1c(C(O)c2ccc(N(CC)CC)cc2)nc2ccccc21.Cl
InChIInChI=1S/C21H27N3O.ClH/c1-4-15-24-19-10-8-7-9-18(19)22-21(24)20(25)16-11-13-17(14-12-16)23(5-2)6-3;/h7-14,20,25H,4-6,15H2,1-3H3;1H
InChIKeyLPVDNASEZWCTCJ-UHFFFAOYSA-N
XLogP4.80
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
The IUPAC name of [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride (CID 3039565) is [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride.
What is the SMILES notation for [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
The canonical SMILES for [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride is CCCn1c(C(O)c2ccc(N(CC)CC)cc2)nc2ccccc21.Cl.
What is the InChIKey of [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
The InChIKey is LPVDNASEZWCTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.ClH/c1-4-15-24-19-10-8-7-9-18(19)22-21(24)20(25)16-11-13-17(14-12-16)23(5-2)6-3;/h7-14,20,25H,4-6,15H2,1-3H3;1H.
What are the key properties of [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride?
[4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-(1-propylbenzimidazol-2-yl)methanol;hydrochloride is sourced from PubChem (CID 3039565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).