3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde

C19H20ClN3O2 — CID 177367154

IUPAC3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde
SMILESCCC(NC)c1nc2ccc(OC)cc2n1-c1c(Cl)cccc1C=O
InChIInChI=1S/C19H20ClN3O2/c1-4-15(21-2)19-22-16-9-8-13(25-3)10-17(16)23(19)18-12(11-24)6-5-7-14(18)20/h5-11,15,21H,4H2,1-3H3
InChIKeyVNBAGAJIRQMETP-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.17
Rot. Bonds6

About 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde

3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde (PubChem CID 177367154) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde
PubChem CID177367154
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde
SMILESCCC(NC)c1nc2ccc(OC)cc2n1-c1c(Cl)cccc1C=O
InChIInChI=1S/C19H20ClN3O2/c1-4-15(21-2)19-22-16-9-8-13(25-3)10-17(16)23(19)18-12(11-24)6-5-7-14(18)20/h5-11,15,21H,4H2,1-3H3
InChIKeyVNBAGAJIRQMETP-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-2-[6-[2-[1-(2-hydroxyethyl)pyrazol-4-yl]ethynyl]-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde
CID 174338044
2-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]indole-4-carbaldehyde
CID 166175262
3-(difluoromethoxy)-2-[2-[(1R)-1-(dimethylamino)propyl]-6-[3-(propan-2-ylamino)prop-1-ynyl]benzimidazol-1-yl]benzaldehyde
CID 171806128
2-[6-[5-(aminomethyl)-2-pyridinyl]-2-[1-(dimethylamino)propyl]benzimidazol-1-yl]-3-ethynylbenzaldehyde
CID 177154686
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
6-methoxy-1-[(4-methoxyphenyl)methyl]indole-3-carbaldehyde
CID 141464853
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
2-[6-[2-(3-aminopentan-3-yl)pyrimidin-5-yl]-2-[1-(dimethylamino)propyl]benzimidazol-1-yl]-3-prop-1-ynylbenzaldehyde
CID 177154609
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
6-(1-butyl-6-methoxybenzimidazol-2-yl)pyridine-2-carbaldehyde
CID 102300716
8-chloro-3-(4-methoxyphenyl)-2-[1-(methylamino)ethyl]quinazolin-4-one
CID 67073725

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde?
The IUPAC name of 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde (CID 177367154) is 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde?
The canonical SMILES for 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde is CCC(NC)c1nc2ccc(OC)cc2n1-c1c(Cl)cccc1C=O.
What is the InChIKey of 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde?
The InChIKey is VNBAGAJIRQMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-4-15(21-2)19-22-16-9-8-13(25-3)10-17(16)23(19)18-12(11-24)6-5-7-14(18)20/h5-11,15,21H,4H2,1-3H3.
What are the key properties of 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde?
3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde has a molecular weight of 357.84 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[6-methoxy-2-[1-(methylamino)propyl]benzimidazol-1-yl]benzaldehyde is sourced from PubChem (CID 177367154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).