3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol

C19H23N3O — CID 46985414

IUPAC3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H23N3O/c1-15(14-23)11-22(12-16-7-3-2-4-8-16)13-19-20-17-9-5-6-10-18(17)21-19/h2-10,15,23H,11-14H2,1H3,(H,20,21)
InChIKeyRZZDNQOBAQAGBX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.19
Rot. Bonds7

About 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol

3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol (PubChem CID 46985414) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
PubChem CID46985414
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C19H23N3O/c1-15(14-23)11-22(12-16-7-3-2-4-8-16)13-19-20-17-9-5-6-10-18(17)21-19/h2-10,15,23H,11-14H2,1H3,(H,20,21)
InChIKeyRZZDNQOBAQAGBX-UHFFFAOYSA-N
XLogP3.19
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
CID 91865506
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
acetic acid;1,3-bis[bis(1H-benzimidazol-2-ylmethyl)amino]propan-2-ol;manganese
CID 91867985
CID 11968265
CID 11968265
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-[(Z)-but-2-enyl]-5-methyl-1H-imidazol-2-yl]methyl]-1-phenylmethanamine
CID 142942374
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-[3-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]phenyl]ethanamine
CID 172879399
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-(3H-indol-2-yl)methanamine
CID 59163630
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249

Frequently Asked Questions

What is the IUPAC name of 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol (CID 46985414) is 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol is CC(CO)CN(Cc1ccccc1)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol?
The InChIKey is RZZDNQOBAQAGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(14-23)11-22(12-16-7-3-2-4-8-16)13-19-20-17-9-5-6-10-18(17)21-19/h2-10,15,23H,11-14H2,1H3,(H,20,21).
What are the key properties of 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol?
3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol has a molecular weight of 309.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-benzimidazol-2-ylmethyl(benzyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 46985414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).