1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride

C20H26ClN3O2 — CID 6602777

IUPAC1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)COc1cccc(C)c1
InChIInChI=1S/C20H25N3O2.ClH/c1-3-11-22-18-9-4-5-10-19(18)23(20(22)21)13-16(24)14-25-17-8-6-7-15(2)12-17;/h4-10,12,16,21,24H,3,11,13-14H2,1-2H3;1H/b21-20+;
InChIKeyOKUUFTCWCFAJLO-ANVLNOONSA-N
MW375.90 g/mol
LogP3.50
Rot. Bonds7

About 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride

1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride (PubChem CID 6602777) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
PubChem CID6602777
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride
SMILESCl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)COc1cccc(C)c1
InChIInChI=1S/C20H25N3O2.ClH/c1-3-11-22-18-9-4-5-10-19(18)23(20(22)21)13-16(24)14-25-17-8-6-7-15(2)12-17;/h4-10,12,16,21,24H,3,11,13-14H2,1-2H3;1H/b21-20+;
InChIKeyOKUUFTCWCFAJLO-ANVLNOONSA-N
XLogP3.50
TPSA63.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride (CID 6602777) is 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride is Cl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)COc1cccc(C)c1.
What is the InChIKey of 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is OKUUFTCWCFAJLO-ANVLNOONSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-3-11-22-18-9-4-5-10-19(18)23(20(22)21)13-16(24)14-25-17-8-6-7-15(2)12-17;/h4-10,12,16,21,24H,3,11,13-14H2,1-2H3;1H/b21-20+;.
What are the key properties of 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride?
1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-3-propylbenzimidazol-1-yl)-3-(3-methylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 6602777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).