[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol

C16H25N3O2 — CID 82335370

IUPAC[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol
SMILESCC(C)Oc1ccc2c(c1)nc(CO)n2CCCN(C)C
InChIInChI=1S/C16H25N3O2/c1-12(2)21-13-6-7-15-14(10-13)17-16(11-20)19(15)9-5-8-18(3)4/h6-7,10,12,20H,5,8-9,11H2,1-4H3
InChIKeyGKSZXHJQXYVZSZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.27
Rot. Bonds7

About [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol

[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol (PubChem CID 82335370) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol
PubChem CID82335370
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol
SMILESCC(C)Oc1ccc2c(c1)nc(CO)n2CCCN(C)C
InChIInChI=1S/C16H25N3O2/c1-12(2)21-13-6-7-15-14(10-13)17-16(11-20)19(15)9-5-8-18(3)4/h6-7,10,12,20H,5,8-9,11H2,1-4H3
InChIKeyGKSZXHJQXYVZSZ-UHFFFAOYSA-N
XLogP2.27
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
(1-butyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335414
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)methanethiol
CID 82335413
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
CID 82332822
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
1-[3-(dimethylamino)propyl]-5-methoxybenzimidazol-2-amine
CID 15955948
(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)methanethiol
CID 82335418
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
N,N-dimethyl-3-(9-propan-2-yloxy-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)propan-1-amine
CID 175744669
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496

Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol?
The IUPAC name of [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol (CID 82335370) is [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol?
The canonical SMILES for [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol is CC(C)Oc1ccc2c(c1)nc(CO)n2CCCN(C)C.
What is the InChIKey of [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol?
The InChIKey is GKSZXHJQXYVZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)21-13-6-7-15-14(10-13)17-16(11-20)19(15)9-5-8-18(3)4/h6-7,10,12,20H,5,8-9,11H2,1-4H3.
What are the key properties of [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol?
[1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol has a molecular weight of 291.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl]-5-propan-2-yloxybenzimidazol-2-yl]methanol is sourced from PubChem (CID 82335370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).